 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Chair_STD_B3LYPDBJ-augccpVDZr.in
 Output=28_pantolactone_Chair_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/28_pantolactone_Chair_STD/Gau-16722.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/28_pantolactone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16723.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Chair_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:30:10 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.391473000000     -0.248303000000     -0.123357000000
  C                                                -0.243522000000      0.655863000000     -0.542507000000
  C                                                 0.981653000000     -0.084895000000      0.017922000000
  C                                                 0.496618000000     -1.529573000000     -0.204524000000
  O                                                -0.939721000000     -1.510078000000      0.006228000000
  O                                                -2.521298000000      0.090990000000      0.087826000000
  O                                                -0.412527000000      1.974539000000     -0.102863000000
  H                                                -0.197683000000      0.620961000000     -1.642905000000
  H                                                 0.917744000000     -2.241771000000      0.501987000000
  H                                                 0.687270000000     -1.873494000000     -1.223519000000
  H                                                -1.358566000000      2.100303000000      0.062355000000
  C                                                 1.149948000000      0.199957000000      1.512528000000
  C                                                 2.267170000000      0.215237000000     -0.742530000000
  H                                                 0.252859000000     -0.059462000000      2.077615000000
  H                                                 1.351897000000      1.256730000000      1.677591000000
  H                                                 1.982205000000     -0.382220000000      1.911899000000
  H                                                 2.149353000000      0.028869000000     -1.811924000000
  H                                                 3.090365000000     -0.403337000000     -0.378159000000
  H                                                 2.550560000000      1.260108000000     -0.609664000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          16          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1          12          12           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 18:30:11 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.520196   0.000000
     3  C    2.382937   1.537484   0.000000
     4  C    2.283228   2.331988   1.540077   0.000000
     5  O    1.346458   2.340321   2.392271   1.451849   0.000000
     6  O    1.198425   2.429952   3.508060   3.437951   2.251991
     7  O    2.428947   1.400270   2.489899   3.621558   3.525959
     8  H    2.118910   1.101905   2.155786   2.678767   2.794922
     9  H    3.114073   3.291776   2.211451   1.087994   2.057019
    10  H    2.858807   2.779892   2.197026   1.092237   2.071581
    11  H    2.356167   1.922391   3.202138   4.085209   3.635029
    12  C    3.055467   2.524436   1.530788   2.523169   3.091905
    13  C    3.739507   2.556899   1.523457   2.543357   3.717728
    14  H    2.753864   2.761000   2.184977   2.725583   2.795922
    15  H    3.610349   2.799150   2.165996   3.469487   3.962347
    16  H    3.942322   3.472115   2.162558   2.828893   3.666237
    17  H    3.932624   2.780358   2.173661   2.782806   3.900822
    18  H    4.491751   3.501959   2.169090   2.833034   4.196930
    19  H    4.248697   2.859461   2.159714   3.487856   4.498368
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.833908   0.000000
     8  H    2.945418   2.061568   0.000000
     9  H    4.176160   4.462369   3.746995   0.000000
    10  H    3.984185   4.156054   2.679801   1.779359   0.000000
    11  H    2.321623   0.968557   2.538506   4.922242   4.650804
    12  C    3.939505   2.863557   3.456893   2.652762   3.463989
    13  C    4.861518   3.268806   2.655332   3.067028   2.662749
    14  H    3.417286   3.055222   3.808967   2.772571   3.791690
    15  H    4.346026   2.607385   3.719018   3.716187   4.319314
    16  H    4.881876   3.917693   4.288929   2.564929   3.705617
    17  H    5.042607   3.642767   2.426462   3.467975   2.470403
    18  H    5.652633   4.242680   3.668791   2.979057   2.941235
    19  H    5.251388   3.089845   3.004819   4.020574   3.697043
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.465106   0.000000
    13  C    4.165006   2.516685   0.000000
    14  H    3.364899   1.091508   3.476511   0.000000
    15  H    3.266070   1.088484   2.789161   1.760757   0.000000
    16  H    4.554611   1.091366   2.735718   1.766995   1.771538
    17  H    4.484335   3.475638   1.091887   4.328164   3.784216
    18  H    5.123988   2.775586   1.092268   3.768357   3.162942
    19  H    4.054479   2.754874   1.090742   3.773879   2.582313
                   16         17         18         19
    16  H    0.000000
    17  H    3.750172   0.000000
    18  H    2.544176   1.768612   0.000000
    19  H    3.062442   1.767016   1.764096   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4218185           1.5727158           1.2192347
 Leave Link  202 at Thu Jul  8 18:30:11 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.2901348258 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0311939334 Hartrees.
 Nuclear repulsion after empirical dispersion term =      497.2589408924 Hartrees.
 Leave Link  301 at Thu Jul  8 18:30:14 2021, MaxMem= 10737418240 cpu:              33.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.61D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Jul  8 18:30:14 2021, MaxMem= 10737418240 cpu:               7.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:30:15 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:30:16 2021, MaxMem= 10737418240 cpu:               8.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737211671 LenY= 10737112005
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -460.428222118748    
 DIIS: error= 1.83D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -460.428222118748     IErMin= 1 ErrMin= 1.83D-03
 ErrMax= 1.83D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-03 BMatP= 5.04D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.83D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.273 Goal=   None    Shift=    0.000
 GapD=    0.273 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.32D-02 MaxDP=1.26D+00              OVMax= 1.75D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.29D-02    CP:  1.12D+00
 E= -460.432742639273     Delta-E=       -0.004520520524 Rises=F Damp=F
 DIIS: error= 5.17D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -460.432742639273     IErMin= 2 ErrMin= 5.17D-04
 ErrMax= 5.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-04 BMatP= 5.04D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.17D-03
 Coeff-Com:  0.294D-01 0.971D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.293D-01 0.971D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.04D-04 MaxDP=3.70D-02 DE=-4.52D-03 OVMax= 5.40D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.51D-04    CP:  1.12D+00  1.03D+00
 E= -460.432549295165     Delta-E=        0.000193344108 Rises=F Damp=F
 DIIS: error= 8.30D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -460.432742639273     IErMin= 2 ErrMin= 5.17D-04
 ErrMax= 8.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-04 BMatP= 1.75D-04
 IDIUse=3 WtCom= 2.58D-01 WtEn= 7.42D-01
 Coeff-Com: -0.120D-01 0.624D+00 0.388D+00
 Coeff-En:   0.000D+00 0.685D+00 0.315D+00
 Coeff:     -0.308D-02 0.669D+00 0.334D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=1.02D-04 MaxDP=5.40D-03 DE= 1.93D-04 OVMax= 3.22D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.76D-05    CP:  1.12D+00  1.03D+00  9.07D-01
 E= -460.432868775323     Delta-E=       -0.000319480158 Rises=F Damp=F
 DIIS: error= 8.21D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -460.432868775323     IErMin= 4 ErrMin= 8.21D-05
 ErrMax= 8.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.38D-06 BMatP= 1.75D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.588D-02 0.260D+00 0.956D-01 0.650D+00
 Coeff:     -0.588D-02 0.260D+00 0.956D-01 0.650D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=2.59D-05 MaxDP=1.73D-03 DE=-3.19D-04 OVMax= 6.63D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.79D-05    CP:  1.12D+00  1.03D+00  9.24D-01  1.14D+00
 E= -460.432872679110     Delta-E=       -0.000003903787 Rises=F Damp=F
 DIIS: error= 3.15D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -460.432872679110     IErMin= 5 ErrMin= 3.15D-05
 ErrMax= 3.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-06 BMatP= 6.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-02 0.504D-01-0.117D-01 0.452D+00 0.511D+00
 Coeff:     -0.167D-02 0.504D-01-0.117D-01 0.452D+00 0.511D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=8.96D-06 MaxDP=5.68D-04 DE=-3.90D-06 OVMax= 3.92D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.13D-06    CP:  1.12D+00  1.03D+00  9.35D-01  1.17D+00  8.78D-01
 E= -460.432873548524     Delta-E=       -0.000000869414 Rises=F Damp=F
 DIIS: error= 9.17D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -460.432873548524     IErMin= 6 ErrMin= 9.17D-06
 ErrMax= 9.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-07 BMatP= 1.26D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.456D-03 0.379D-02-0.170D-01 0.213D+00 0.309D+00 0.491D+00
 Coeff:     -0.456D-03 0.379D-02-0.170D-01 0.213D+00 0.309D+00 0.491D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=2.97D-06 MaxDP=1.30D-04 DE=-8.69D-07 OVMax= 1.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.45D-06    CP:  1.12D+00  1.03D+00  9.38D-01  1.17D+00  8.49D-01
                    CP:  9.53D-01
 E= -460.432873634780     Delta-E=       -0.000000086256 Rises=F Damp=F
 DIIS: error= 1.77D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -460.432873634780     IErMin= 7 ErrMin= 1.77D-06
 ErrMax= 1.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-09 BMatP= 1.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.336D-04-0.296D-02-0.640D-02 0.540D-01 0.854D-01 0.215D+00
 Coeff-Com:  0.655D+00
 Coeff:     -0.336D-04-0.296D-02-0.640D-02 0.540D-01 0.854D-01 0.215D+00
 Coeff:      0.655D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=9.47D-07 MaxDP=6.90D-05 DE=-8.63D-08 OVMax= 1.58D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.28D-07    CP:  1.12D+00  1.03D+00  9.40D-01  1.17D+00  8.64D-01
                    CP:  9.75D-01  9.09D-01
 E= -460.432873637670     Delta-E=       -0.000000002890 Rises=F Damp=F
 DIIS: error= 6.45D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -460.432873637670     IErMin= 8 ErrMin= 6.45D-07
 ErrMax= 6.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.96D-10 BMatP= 3.68D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.401D-05-0.164D-02-0.217D-02 0.151D-01 0.237D-01 0.795D-01
 Coeff-Com:  0.352D+00 0.534D+00
 Coeff:      0.401D-05-0.164D-02-0.217D-02 0.151D-01 0.237D-01 0.795D-01
 Coeff:      0.352D+00 0.534D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=9.17D-06 DE=-2.89D-09 OVMax= 4.13D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.66D-07    CP:  1.12D+00  1.03D+00  9.40D-01  1.17D+00  8.66D-01
                    CP:  9.76D-01  8.93D-01  9.43D-01
 E= -460.432873638007     Delta-E=       -0.000000000337 Rises=F Damp=F
 DIIS: error= 1.48D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -460.432873638007     IErMin= 9 ErrMin= 1.48D-07
 ErrMax= 1.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.02D-11 BMatP= 4.96D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.827D-05-0.438D-03-0.213D-03 0.314D-03-0.856D-04 0.991D-02
 Coeff-Com:  0.877D-01 0.259D+00 0.644D+00
 Coeff:      0.827D-05-0.438D-03-0.213D-03 0.314D-03-0.856D-04 0.991D-02
 Coeff:      0.877D-01 0.259D+00 0.644D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=7.67D-08 MaxDP=4.87D-06 DE=-3.37D-10 OVMax= 1.26D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.29D-08    CP:  1.12D+00  1.03D+00  9.40D-01  1.17D+00  8.65D-01
                    CP:  9.80D-01  9.06D-01  9.30D-01  9.55D-01
 E= -460.432873638054     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 3.89D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -460.432873638054     IErMin=10 ErrMin= 3.89D-08
 ErrMax= 3.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-12 BMatP= 4.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.330D-05-0.103D-03 0.298D-04-0.699D-03-0.132D-02 0.126D-03
 Coeff-Com:  0.194D-01 0.806D-01 0.267D+00 0.635D+00
 Coeff:      0.330D-05-0.103D-03 0.298D-04-0.699D-03-0.132D-02 0.126D-03
 Coeff:      0.194D-01 0.806D-01 0.267D+00 0.635D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=1.61D-08 MaxDP=7.04D-07 DE=-4.67D-11 OVMax= 2.16D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.22D-08    CP:  1.12D+00  1.03D+00  9.40D-01  1.17D+00  8.66D-01
                    CP:  9.81D-01  9.06D-01  9.42D-01  9.47D-01  9.03D-01
 E= -460.432873638019     Delta-E=        0.000000000035 Rises=F Damp=F
 DIIS: error= 1.05D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -460.432873638054     IErMin=11 ErrMin= 1.05D-08
 ErrMax= 1.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-13 BMatP= 1.73D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.618D-06-0.647D-05 0.307D-04-0.308D-03-0.518D-03-0.628D-03
 Coeff-Com:  0.167D-02 0.143D-01 0.648D-01 0.265D+00 0.656D+00
 Coeff:      0.618D-06-0.647D-05 0.307D-04-0.308D-03-0.518D-03-0.628D-03
 Coeff:      0.167D-02 0.143D-01 0.648D-01 0.265D+00 0.656D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=4.90D-09 MaxDP=1.61D-07 DE= 3.49D-11 OVMax= 7.29D-08

 SCF Done:  E(RB3LYP) =  -460.432873638     A.U. after   11 cycles
            NFock= 11  Conv=0.49D-08     -V/T= 2.0059
 KE= 4.577281344634D+02 PE=-2.070148672416D+03 EE= 6.547287234220D+02
 Leave Link  502 at Thu Jul  8 18:31:28 2021, MaxMem= 10737418240 cpu:            1150.8 elap:              72.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.85871538D+02

 Leave Link  801 at Thu Jul  8 18:31:29 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 2.45D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 2.94D-01 8.18D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 5.15D-02 3.22D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 2.70D-03 7.20D-03.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 2.27D-04 2.80D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 7.54D-06 4.47D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 1.61D-07 4.42D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 1.23D-09 3.63D-06.
     10 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 9.85D-12 3.10D-07.
      6 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 8.21D-14 3.14D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   104 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.943060D+02
      2 -0.447137D+01  0.820191D+02
      3 -0.194925D+01  0.874947D+00  0.743859D+02
 Isotropic polarizability for W=    0.085645       83.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.346596D+02  0.141203D+02  0.482596D+01
      2  -0.209875D+02 -0.722631D+01 -0.360327D+00
      3  -0.136721D+02 -0.689403D+01 -0.446563D+01
      4   0.219678D+01  0.502079D+02  0.601353D+00
      5   0.715065D+01  0.731509D+00  0.835051D+02
      6  -0.197907D+00  0.419025D+01 -0.368059D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.108740D+01 -0.177759D+01 -0.658621D+00
      2   0.412084D+01  0.109244D+01  0.360358D+02
      3  -0.146757D+02 -0.182688D+02 -0.274011D+00
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.130156D+00  0.455058D+01 -0.321344D+01
      2  -0.232469D+01  0.799260D+00  0.971772D+02
      3  -0.119236D+02 -0.711955D+02 -0.929416D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.441755D+00 -0.307577D+00  0.194147D+01
      2  -0.307577D+00 -0.480889D+00 -0.119404D+01
      3   0.194147D+01 -0.119404D+01 -0.229832D+00
 OR G Eigenvalues:    -2.2075    -0.4981     2.4367  Iso=     0.0897
 Eigenvectors:
   (1)  -0.500539   0.430320   0.751189
   (2)   0.532239   0.837314  -0.125011
   (3)   0.682776  -0.337239   0.648141
 w=    0.085645 a.u., Optical Rotation Beta=      0.0897 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =       32.67 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 7.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.97D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.82D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 2.55D-02 3.64D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 7.72D-04 4.09D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 2.29D-05 6.09D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 1.91D-07 8.92D-05.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 9.65D-10 3.83D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 2.41D-12 1.61D-07.
      1 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 3.91D-15 5.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.45D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.45D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.943060D+02 -0.447137D+01 -0.194925D+01
      2  -0.447137D+01  0.820191D+02  0.874947D+00
      3  -0.194925D+01  0.874947D+00  0.743859D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.108740D+01 -0.177759D+01 -0.658621D+00
      2   0.412084D+01  0.109244D+01  0.360358D+02
      3  -0.146757D+02 -0.182688D+02 -0.274011D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.346596D+02  0.141203D+02  0.482596D+01
      2  -0.209875D+02 -0.722631D+01 -0.360327D+00
      3  -0.136721D+02 -0.689403D+01 -0.446563D+01
      4   0.219678D+01  0.502079D+02  0.601353D+00
      5   0.715065D+01  0.731509D+00  0.835051D+02
      6  -0.197907D+00  0.419025D+01 -0.368059D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.770753D+01 -0.248953D+01 -0.443486D+00 -0.227492D+01 -0.169941D+01
      2  -0.248953D+01  0.412610D+00  0.123154D+00 -0.169941D+01  0.534988D+00
      3  -0.443486D+00  0.123154D+00 -0.163948D+00  0.288441D+00  0.920556D-01
                 6             7             8             9            10 
      1   0.288441D+00 -0.158715D+01 -0.556363D-01  0.242086D+00 -0.363844D+01
      2   0.920556D-01 -0.556363D-01 -0.637390D+00 -0.282822D+00  0.261154D+01
      3  -0.847587D+00  0.242086D+00 -0.282822D+00 -0.832607D+00 -0.136937D+01
                11            12            13            14            15 
      1   0.261154D+01 -0.136937D+01  0.374330D+01  0.469649D+00 -0.558526D-01
      2  -0.145324D+00  0.978817D-01  0.469649D+00 -0.122929D+01 -0.237637D+00
      3   0.978817D-01 -0.100522D+01 -0.558526D-01 -0.237637D+00  0.252568D+01
                16            17            18            19            20 
      1  -0.102960D+01  0.763648D+00 -0.719179D+00  0.229981D+01 -0.211825D+01
      2   0.763648D+00 -0.119188D+01  0.902260D+00 -0.211825D+01  0.347318D+01
      3  -0.719179D+00  0.902260D+00  0.800854D+01  0.389408D+01  0.138980D+00
                21            22            23            24            25 
      1   0.389408D+01 -0.237033D+01  0.289979D+01 -0.223066D+00  0.433366D+01
      2   0.138980D+00  0.289979D+01  0.351262D+01  0.166468D+01 -0.539232D-01
      3  -0.750257D+00 -0.223066D+00  0.166468D+01 -0.225243D+01 -0.738460D+00
                26            27            28            29            30 
      1  -0.539232D-01 -0.738460D+00  0.240259D+01  0.601971D+00 -0.124877D+01
      2   0.122612D+01 -0.207382D+01  0.601971D+00 -0.310020D+01 -0.207485D+00
      3  -0.207382D+01 -0.756705D+01 -0.124877D+01 -0.207485D+00 -0.269469D+01
                31            32            33            34            35 
      1  -0.290468D+00 -0.291198D+01  0.524945D+00 -0.107202D+01  0.246998D+00
      2  -0.291198D+01 -0.109211D+01 -0.146963D+01  0.246998D+00 -0.135011D+01
      3   0.524945D+00 -0.146963D+01  0.249733D+01 -0.179486D+01  0.422142D+01
                36            37            38            39            40 
      1  -0.179486D+01 -0.411949D+01 -0.235894D+01  0.349865D+00 -0.164481D+01
      2   0.422142D+01 -0.235894D+01 -0.798458D+00  0.346719D+00 -0.247550D+00
      3   0.420302D+01  0.349865D+00  0.346719D+00  0.841581D+00 -0.261336D+00
                41            42            43            44            45 
      1  -0.247550D+00 -0.261336D+00  0.616003D+00  0.245281D+00 -0.604299D+00
      2  -0.562274D+01  0.506828D+00  0.245281D+00  0.660179D+00 -0.152271D+01
      3   0.506828D+00 -0.769169D+00 -0.604299D+00 -0.152271D+01  0.648062D+00
                46            47            48            49            50 
      1  -0.174825D+02  0.248284D+01  0.925106D+00  0.203587D+01 -0.287827D+01
      2   0.248284D+01 -0.339315D+01 -0.163920D+00 -0.287827D+01  0.236513D+01
      3   0.925106D+00 -0.163920D+00 -0.178404D+01 -0.144158D+00  0.316287D+00
                51            52            53            54            55 
      1  -0.144158D+00  0.213860D+01 -0.179693D+00 -0.369774D+01  0.403615D+01
      2   0.316287D+00 -0.179693D+00  0.677376D+00  0.755376D+00 -0.478365D+00
      3   0.857860D+00 -0.369774D+01  0.755376D+00  0.123627D+01  0.523512D-01
                56            57            58            59            60 
      1  -0.478365D+00  0.523512D-01 -0.483348D+00  0.552533D-01  0.357414D+00
      2   0.405736D+01  0.267111D+00  0.552533D-01  0.609447D+01 -0.449012D+00
      3   0.267111D+00  0.115284D+01  0.357414D+00 -0.449012D+00 -0.759540D+00
                61            62            63            64            65 
      1  -0.845719D+00  0.197838D-01  0.377704D+00  0.858973D+00 -0.355483D+00
      2   0.197838D-01 -0.411745D-01  0.101447D+01 -0.355483D+00 -0.144546D+00
      3   0.377704D+00  0.101447D+01 -0.443571D+00 -0.108927D+01  0.417577D-01
                66            67            68            69            70 
      1  -0.108927D+01 -0.522931D+00 -0.211880D+00  0.134892D-01 -0.180595D+01
      2   0.417577D-01 -0.211880D+00  0.474706D+00 -0.127711D+01  0.576959D-01
      3   0.422929D+00  0.134892D-01 -0.127711D+01 -0.232562D+00  0.836290D-01
                71            72            73            74            75 
      1   0.576959D-01  0.836290D-01  0.179351D+01 -0.180137D+01  0.120610D+01
      2  -0.167098D+01  0.367639D+00 -0.180137D+01  0.250701D+01 -0.803090D+00
      3   0.367639D+00 -0.987176D+01  0.120610D+01 -0.803090D+00  0.111761D+01
                76            77            78            79            80 
      1  -0.150129D+01  0.203835D+01 -0.595729D+00  0.163416D+01 -0.109723D+01
      2   0.203835D+01 -0.557623D+01  0.195802D+01 -0.109723D+01  0.353761D+01
      3  -0.595729D+00  0.195802D+01 -0.180560D+01  0.131602D+01 -0.260244D+01
                81            82            83            84            85 
      1   0.131602D+01  0.710949D+00 -0.870009D+00 -0.133818D+01 -0.555452D+00
      2  -0.260244D+01 -0.870009D+00  0.870153D+00  0.581374D+00  0.103053D+01
      3   0.196558D+01 -0.133818D+01  0.581374D+00  0.111054D+01  0.274119D+00
                86            87            88            89            90 
      1   0.103053D+01  0.274119D+00 -0.220130D+01  0.548775D+00  0.152381D+01
      2  -0.259388D+01 -0.178047D+01  0.548775D+00 -0.310590D+01 -0.380924D+01
      3  -0.178047D+01 -0.191537D+01  0.152381D+01 -0.380924D+01 -0.663349D+01
                91            92            93            94            95 
      1  -0.495010D+01  0.238149D+01  0.464355D+00  0.171173D+01 -0.144266D+01
      2   0.238149D+01 -0.474199D+01 -0.319259D+00 -0.144266D+01  0.190204D+01
      3   0.464355D+00 -0.319259D+00 -0.122184D+01 -0.207246D+00  0.147316D+00
                96            97            98            99           100 
      1  -0.207246D+00  0.964300D+00 -0.358895D+00 -0.622934D+00  0.237946D-01
      2   0.147316D+00 -0.358895D+00  0.956334D+00  0.771668D+00  0.271161D+01
      3   0.561976D+00 -0.622934D+00  0.771668D+00  0.455870D+00 -0.478791D+01
               101           102           103           104           105 
      1   0.271161D+01 -0.478791D+01  0.303957D+01 -0.274785D+01  0.441337D+00
      2  -0.210015D+01  0.420926D+00 -0.274785D+01 -0.454023D+01 -0.279021D+01
      3   0.420926D+00  0.164679D+01  0.441337D+00 -0.279021D+01  0.219241D+01
               106           107           108           109           110 
      1  -0.398246D+01  0.213282D+00  0.133659D+01 -0.150054D+01  0.268264D+01
      2   0.213282D+00 -0.111103D+01  0.186460D+01  0.268264D+01 -0.306679D+01
      3   0.133659D+01  0.186460D+01  0.439180D+01 -0.339422D+01  0.240294D+00
               111           112           113           114           115 
      1  -0.339422D+01  0.311453D+01 -0.393259D+01  0.211377D+00 -0.379521D+01
      2   0.240294D+00 -0.393259D+01 -0.449535D+01 -0.915076D+00  0.259935D+00
      3   0.176326D+01  0.211377D+00 -0.915076D+00  0.192674D+01  0.584818D+00
               116           117           118           119           120 
      1   0.259935D+00  0.584818D+00 -0.388294D+01 -0.845534D+00  0.251852D+01
      2  -0.115356D+01  0.160186D+01 -0.845534D+00 -0.822954D+00  0.263828D+00
      3   0.160186D+01  0.708818D+01  0.251852D+01  0.263828D+00 -0.384736D+01
               121           122           123           124           125 
      1  -0.990505D+00 -0.486673D+00  0.409332D+00  0.215964D+01  0.243217D+00
      2  -0.486673D+00 -0.938365D-01  0.103718D+01  0.243217D+00  0.807775D+00
      3   0.409332D+00  0.103718D+01 -0.125177D+01 -0.202328D+01 -0.607557D+00
               126           127           128           129           130 
      1  -0.202328D+01  0.823407D+00  0.897677D+00  0.887114D+00  0.151590D+01
      2  -0.607557D+00  0.897677D+00  0.122860D+01  0.371039D+00  0.176914D+01
      3   0.362855D+01  0.887114D+00  0.371039D+00  0.258772D+00  0.857524D+00
               131           132           133           134           135 
      1   0.176914D+01  0.857524D+00  0.574172D+00  0.283153D+00  0.260290D+00
      2   0.666996D+01  0.244698D+01  0.283153D+00  0.126982D+01  0.107119D+01
      3   0.244698D+01  0.253478D+01  0.260290D+00  0.107119D+01  0.804363D+00
               136           137           138           139           140 
      1   0.493276D+01 -0.180175D+01  0.300486D+01 -0.260252D+01  0.184533D+01
      2  -0.180175D+01  0.175285D+01 -0.924301D+00  0.184533D+01 -0.148790D+01
      3   0.300486D+01 -0.924301D+00  0.262050D+01 -0.142304D+01  0.151134D+01
               141           142           143           144           145 
      1  -0.142304D+01  0.191028D+01 -0.671795D+00  0.165357D+01 -0.122693D+00
      2   0.151134D+01 -0.671795D+00  0.818351D+00 -0.105683D+01 -0.374665D+00
      3  -0.222825D+01  0.165357D+01 -0.105683D+01  0.210962D+01 -0.578341D+00
               146           147           148           149           150 
      1  -0.374665D+00 -0.578341D+00 -0.725532D+00  0.532088D+00  0.177447D+00
      2   0.567734D-01 -0.456422D-01  0.532088D+00  0.420870D-03 -0.102479D+01
      3  -0.456422D-01 -0.659198D+00  0.177447D+00 -0.102479D+01 -0.121792D+01
               151           152           153           154           155 
      1  -0.167655D+01 -0.638462D-01  0.139690D+01  0.784633D+01 -0.236492D+01
      2  -0.638462D-01 -0.112122D+01 -0.629742D+00 -0.236492D+01  0.200176D+01
      3   0.139690D+01 -0.629742D+00 -0.902233D+01  0.787330D+00 -0.347511D+00
               156           157           158           159           160 
      1   0.787330D+00 -0.426028D+01  0.258188D+01 -0.209853D+00  0.273436D+01
      2  -0.347511D+00  0.258188D+01 -0.169288D+01  0.408726D+00 -0.584474D+00
      3   0.980630D+00 -0.209853D+00  0.408726D+00 -0.107526D+01  0.101425D+01
               161           162           163           164           165 
      1  -0.584474D+00  0.101425D+01  0.226089D+01  0.148903D+01  0.159880D+00
      2   0.851687D+00 -0.702503D+00  0.148903D+01  0.195327D+01 -0.818567D-01
      3  -0.702503D+00  0.282527D+00  0.159880D+00 -0.818567D-01  0.211112D+00
               166           167           168           169           170 
      1   0.306149D+01  0.333686D+01 -0.435147D+00  0.930785D+00  0.183724D+00
      2   0.333686D+01  0.687012D+01 -0.145477D+00  0.183724D+00  0.577985D+00
      3  -0.435147D+00 -0.145477D+00  0.125868D+01  0.411102D+00  0.717168D+00
               171 
      1   0.411102D+00
      2   0.717168D+00
      3  -0.451583D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128711D+01  0.442199D+01 -0.110150D+01  0.290171D+01  0.186531D+01
      2  -0.193493D+01 -0.320996D+01 -0.103766D+02 -0.275122D+01 -0.764893D+00
      3  -0.191364D+01  0.969073D+01  0.115800D+01 -0.117296D+01 -0.279124D+01
                 6             7             8             9            10 
      1   0.473400D+01  0.853899D+00  0.131437D+02 -0.176242D+01  0.494242D+00
      2   0.327488D+01 -0.139982D+02 -0.363746D+01  0.355801D+01 -0.381811D+01
      3  -0.155570D+01  0.311234D+01 -0.628118D+01  0.382936D+00  0.135683D+01
                11            12            13            14            15 
      1  -0.111613D+01 -0.271078D+01 -0.197896D+01  0.455159D+00 -0.641379D+00
      2   0.228507D+01  0.967070D+00  0.453242D+01  0.400262D+00  0.371185D+01
      3  -0.260014D+01 -0.726229D+00  0.733530D+01 -0.643371D+00  0.116772D+01
                16            17            18            19            20 
      1  -0.122757D+01  0.186764D+01 -0.156220D+01 -0.815640D+00 -0.307829D+00
      2  -0.258842D+01  0.493904D+00 -0.475304D+01  0.928229D+01 -0.122185D+00
      3  -0.827906D+00  0.285126D+01 -0.181732D+01  0.319390D+01 -0.907678D+01
                21            22            23            24            25 
      1   0.813993D+00 -0.437327D+00  0.664285D+00 -0.611945D+01  0.296639D+00
      2   0.392121D+01 -0.850919D+00  0.209121D+01 -0.296897D+01 -0.513745D+01
      3   0.533471D-01 -0.658119D+00 -0.664179D+01 -0.294537D+01  0.941846D+00
                26            27            28            29            30 
      1   0.249976D+01 -0.128107D+01  0.117151D+00  0.221965D+01 -0.490968D+01
      2  -0.263519D+01 -0.542719D+01 -0.192687D+01  0.561085D+00 -0.286301D+01
      3  -0.263202D+01  0.223405D+01 -0.111557D+02  0.193552D+01  0.937570D+00
                31            32            33            34            35 
      1   0.341971D+01 -0.378318D+01  0.602660D+01 -0.311140D+01  0.130054D+02
      2  -0.524134D+00 -0.257798D+01  0.193355D+01 -0.680994D+01  0.550416D+01
      3   0.447312D+01  0.637675D+01  0.167979D+01 -0.264779D-01  0.158985D+01
                36            37            38            39            40 
      1   0.695620D+01 -0.517361D+00 -0.193272D+01 -0.112456D+00  0.129013D+01
      2   0.308655D+01 -0.264868D+00  0.147652D+01  0.661329D+01  0.927420D+00
      3   0.118501D+01  0.104354D+02 -0.305399D+01 -0.117289D+01  0.119888D+02
                41            42            43            44            45 
      1   0.188507D+01 -0.688873D+01 -0.479236D+01 -0.189426D+01  0.181820D+01
      2  -0.509036D+00 -0.756571D+00 -0.323038D+01  0.403960D+01 -0.146362D+01
      3  -0.540355D+01  0.418674D-02 -0.344307D+01  0.571470D+00 -0.314034D+00
                46            47            48            49            50 
      1   0.169586D+01 -0.115606D+01  0.151702D+01 -0.105848D+01 -0.411553D+00
      2  -0.321119D+01  0.240676D+00  0.146738D+02  0.129244D+01 -0.591893D+00
      3   0.911571D+01 -0.209144D+02 -0.651746D+00 -0.183201D+01  0.920894D+01
                51            52            53            54            55 
      1  -0.357918D+01 -0.183559D+01  0.395339D+00  0.617708D+00  0.143383D+01
      2  -0.238899D+01  0.512975D+01  0.991717D+00 -0.445398D+01 -0.412920D+00
      3   0.701355D+00 -0.641570D+00  0.475442D+01  0.275426D+01  0.137109D+02
                56            57            58            59            60 
      1  -0.147153D+01 -0.197859D+01  0.112045D+00 -0.313118D+01 -0.661809D+01
      2   0.102351D+01  0.929498D+00 -0.757010D+00 -0.685217D+00 -0.116328D+01
      3  -0.507175D-01 -0.110959D+01  0.580985D+01  0.396260D+01  0.156698D+00
                61            62            63            64            65 
      1  -0.713471D+00  0.214850D+01 -0.188492D+01  0.172024D+00 -0.295930D-01
      2  -0.376588D+01  0.563028D+00 -0.118716D+00  0.220672D+01 -0.295030D+00
      3  -0.152969D+01  0.749281D-01  0.183694D+01  0.632816D+00 -0.109078D+01
                66            67            68            69            70 
      1   0.358649D+00 -0.406975D+00  0.466976D+00  0.520167D+00 -0.590551D+00
      2  -0.694286D-01 -0.109406D+01  0.446260D+00 -0.123829D+00 -0.486216D+01
      3  -0.496767D+00  0.240523D+00  0.107244D+00 -0.406426D+00 -0.857048D+00
                71            72            73            74            75 
      1   0.405298D+01  0.464009D+01  0.288995D+01 -0.185021D+01  0.310874D+01
      2   0.436754D+00  0.357535D+01  0.908953D+00 -0.833081D+00  0.214361D+01
      3  -0.820061D+00  0.751723D+00 -0.290127D+01 -0.764202D-01 -0.189462D+01
                76            77            78            79            80 
      1  -0.208726D+01  0.458413D+01 -0.576182D+01  0.319818D+01 -0.391557D+01
      2   0.260637D+00  0.187795D+01 -0.213918D+01 -0.233924D-01 -0.239741D+01
      3   0.458864D+01 -0.918747D+00 -0.452413D-01 -0.394598D+01 -0.109344D+01
                81            82            83            84            85 
      1   0.572684D+01 -0.250842D+01  0.105723D+00  0.220438D+01 -0.188783D+00
      2   0.219958D+01  0.639082D-01 -0.141595D+00  0.789064D+00 -0.601040D+00
      3  -0.108807D+01 -0.146954D+01 -0.457772D+00  0.236411D+01  0.160443D+01
                86            87            88            89            90 
      1  -0.165928D+01 -0.452872D+01  0.350583D+01 -0.296731D+01 -0.120761D+02
      2  -0.807889D+00 -0.154109D+01 -0.225889D+01 -0.269703D+01 -0.464384D+01
      3  -0.125673D+01  0.348314D+00  0.564073D+01  0.105460D+01 -0.159249D+01
                91            92            93            94            95 
      1  -0.239526D+01  0.157969D+01  0.312245D+01  0.359452D+00 -0.101745D+01
      2  -0.190929D+00  0.617119D-01  0.216649D+01  0.963579D-01  0.173049D+00
      3  -0.142284D+02 -0.185674D+01  0.149813D+01  0.157817D+01 -0.301289D+01
                96            97            98            99           100 
      1  -0.144735D+01  0.971244D+00 -0.737706D+00 -0.131359D+01  0.627142D+01
      2  -0.821035D+00 -0.398134D+00 -0.959102D+00 -0.380850D+00 -0.659216D+01
      3  -0.115313D+00  0.235640D+01 -0.300478D+00 -0.484494D+00 -0.346457D+01
               101           102           103           104           105 
      1  -0.441813D+01 -0.295351D+00 -0.556433D+01 -0.931564D+01 -0.924632D+01
      2  -0.454764D+01  0.152748D+02 -0.474737D+01  0.123843D+01  0.206898D+01
      3   0.197817D+01 -0.234085D+01  0.703117D+01  0.564278D+01  0.362471D+01
               106           107           108           109           110 
      1   0.574561D+00 -0.242681D+01  0.343188D+01 -0.129333D+01  0.317047D+01
      2   0.741392D+01  0.189810D+01  0.201538D+01 -0.116413D+02  0.276695D+01
      3  -0.158399D+01  0.224144D+01 -0.216808D+01 -0.773242D+01  0.745768D+01
               111           112           113           114           115 
      1  -0.675875D+00  0.430917D+01  0.481901D+01 -0.159702D+01  0.299704D+00
      2   0.183890D+01  0.331697D+01 -0.589948D+01  0.496864D+01 -0.498750D+01
      3  -0.142689D+01  0.166336D+02  0.120281D+02  0.155653D+01 -0.204585D+01
               116           117           118           119           120 
      1   0.199486D+01 -0.371221D+01 -0.226714D+01 -0.288200D+01  0.944739D+00
      2   0.395256D+01  0.196953D+02  0.132654D+02  0.247986D+01 -0.668177D+01
      3   0.309422D+01 -0.430076D+01 -0.164183D+00 -0.940910D+00  0.329932D+00
               121           122           123           124           125 
      1  -0.124709D+01 -0.655234D+00  0.911815D+00  0.121635D+01  0.316864D+01
      2   0.302492D+01  0.209534D+01 -0.174990D+01 -0.852827D+01 -0.127454D+01
      3   0.117923D+01 -0.171645D+00 -0.969705D+00 -0.284217D-01  0.604996D-01
               126           127           128           129           130 
      1  -0.176301D+01  0.123637D+01  0.217729D+01  0.178461D+00  0.251637D+01
      2   0.680044D+01  0.293152D+00 -0.773890D+00  0.676226D-01 -0.224510D+01
      3   0.475489D-01 -0.620396D+00 -0.204392D+01 -0.365218D+00  0.844441D+00
               131           132           133           134           135 
      1   0.131183D+02  0.410046D+00  0.670422D+00  0.302549D+01  0.148525D+01
      2   0.638318D+00  0.276298D+01 -0.154605D+01  0.834371D+00  0.700154D+00
      3  -0.950161D+01 -0.284936D+01 -0.151774D-01 -0.172566D+01 -0.162742D+01
               136           137           138           139           140 
      1  -0.413919D+01  0.469932D+01 -0.118806D+01  0.334371D+01 -0.366857D+01
      2  -0.527314D+01  0.226343D+01  0.112559D+01  0.354848D+01 -0.120715D+01
      3   0.247408D+01 -0.465118D+01  0.169776D+01 -0.148641D+01  0.320789D+01
               141           142           143           144           145 
      1   0.129879D+01 -0.172555D+01  0.310578D+01 -0.199869D+01  0.522817D+00
      2  -0.140889D+01 -0.311420D+01 -0.355978D-01  0.543499D+00 -0.240996D+01
      3  -0.203955D+01  0.950259D+00 -0.189269D+01  0.180984D+01  0.906653D+00
               146           147           148           149           150 
      1   0.218519D+00  0.290971D-01 -0.247785D+00  0.636681D+00  0.236270D+00
      2  -0.414568D+00 -0.713128D+00 -0.843683D+00 -0.174839D+01 -0.292399D+01
      3  -0.909371D+00 -0.508378D-01 -0.363328D+00  0.180086D+00  0.219828D+01
               151           152           153           154           155 
      1  -0.562389D-01  0.432091D+01  0.278714D+01  0.189433D+01 -0.148733D+01
      2  -0.229730D+01 -0.200776D+01 -0.217080D+02  0.853141D+01 -0.333371D+01
      3   0.140452D+00  0.306559D+01  0.196532D+01  0.715337D+01 -0.830063D+01
               156           157           158           159           160 
      1   0.110254D+01 -0.168976D+01  0.987187D+00 -0.170252D+01  0.295163D+00
      2   0.580760D+01 -0.387097D+01  0.333527D+01 -0.452263D+01  0.327567D+01
      3   0.130326D+01 -0.562636D+01  0.596119D+01 -0.142079D+01  0.162807D+01
               161           162           163           164           165 
      1   0.213026D+00  0.935792D+00 -0.150455D+01 -0.194111D+01 -0.407776D+00
      2  -0.236464D+01  0.230415D+01  0.214925D+01  0.950915D+00  0.157821D+01
      3  -0.303630D+01  0.202009D+01 -0.309467D+01 -0.604700D+01  0.456181D+00
               166           167           168           169           170 
      1  -0.237022D+01 -0.627814D+01 -0.319991D+01 -0.641686D-01  0.822746D-02
      2   0.128585D+01  0.249583D+01  0.378749D+01  0.574545D+00  0.153088D+01
      3  -0.501588D+01 -0.185703D+02 -0.651599D-01  0.175081D+00 -0.157645D+01
               171 
      1  -0.607579D+00
      2  -0.554163D+00
      3  -0.159504D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.526320D+02 -0.506322D+00  0.100010D+01  0.134345D+02  0.109590D+02
      2   0.301595D+02  0.502876D+01 -0.439322D+01 -0.874148D+01 -0.128582D+02
      3   0.224725D+02 -0.452244D+01  0.339312D+01 -0.469301D+01  0.189928D+01
      4   0.103992D+02 -0.129962D+02 -0.564849D-01  0.142096D+01  0.782627D+01
      5   0.267420D+01  0.668093D+00 -0.152651D+02 -0.118450D+01  0.396025D+00
      6  -0.161971D+00 -0.887967D+00  0.432568D+01  0.998676D-01 -0.506345D+00
                 6             7             8             9            10 
      1  -0.266312D+01  0.101837D+02 -0.194153D+01 -0.639906D+01 -0.188622D+01
      2   0.730438D+00 -0.732045D+01 -0.266848D+00 -0.416477D+01  0.581422D+01
      3   0.193269D+01 -0.286324D+01  0.220838D+01  0.105638D+02 -0.392801D+01
      4   0.656445D+00 -0.960718D+00  0.354057D+01  0.118147D+01 -0.217185D+01
      5   0.949496D+01  0.501513D+01 -0.209950D+00  0.687106D+01 -0.259087D+01
      6  -0.507233D+01  0.794015D+00  0.239007D+01  0.112222D+01 -0.246341D-01
                11            12            13            14            15 
      1  -0.206349D+01 -0.891377D+00  0.877231D+01  0.384887D+00  0.222348D+01
      2   0.400874D+01  0.426068D-01 -0.456374D+01 -0.642621D+01  0.622179D+01
      3  -0.194524D+01  0.848770D+00 -0.420857D+01  0.604132D+01 -0.844527D+01
      4  -0.100508D+01  0.231375D+00 -0.479537D+01  0.783800D+00 -0.161518D+01
      5  -0.161811D+01 -0.128197D+00 -0.217171D+01 -0.301250D+00  0.469161D+01
      6  -0.184448D+01  0.253567D+01 -0.130391D+01  0.118738D+01 -0.286969D+01
                16            17            18            19            20 
      1  -0.845549D+01  0.726850D+00  0.149360D+02 -0.349211D+01 -0.286555D+01
      2   0.288678D+01 -0.362293D+01  0.166322D+02 -0.361363D+01 -0.250957D+01
      3   0.556871D+01  0.289608D+01 -0.315681D+02  0.710574D+01  0.537512D+01
      4  -0.110255D+01 -0.941080D+00 -0.372516D+01 -0.521376D+01  0.583327D+01
      5   0.520531D+00 -0.159554D+01 -0.143341D+01  0.166434D+02  0.168757D+01
      6  -0.324930D+01  0.139628D+01  0.773926D+01  0.329497D+00  0.318875D+01
                21            22            23            24            25 
      1   0.114109D+02 -0.990733D+01  0.116798D+02  0.160935D+01  0.165925D+02
      2  -0.507748D+01  0.590605D+01 -0.102508D+02 -0.231379D+00 -0.674786D+01
      3  -0.633341D+01  0.400128D+01 -0.142905D+01 -0.137797D+01 -0.984459D+01
      4   0.257966D+00  0.107133D+02  0.787636D+01  0.232926D+01  0.438503D+00
      5  -0.268717D+01  0.927380D+00  0.217165D+01 -0.582956D+01 -0.297112D+01
      6  -0.304301D+01  0.192563D+01 -0.331218D+01  0.457440D+01 -0.331844D+01
                26            27            28            29            30 
      1   0.490305D+00 -0.625462D+01 -0.917050D+00 -0.871923D+01 -0.330285D+01
      2   0.816231D+00  0.555956D+01  0.937104D+00  0.138408D+02 -0.112839D+01
      3  -0.130654D+01  0.695056D+00 -0.200541D-01 -0.512154D+01  0.443124D+01
      4   0.175331D+01 -0.635005D+01 -0.309958D+01 -0.154495D+02  0.234090D+01
      5  -0.568315D+01 -0.149089D+02 -0.462793D+01  0.915055D+00 -0.760071D+01
      6   0.379928D+01 -0.160816D+01  0.696420D+00 -0.113651D+01  0.107869D+02
                31            32            33            34            35 
      1  -0.549060D+01 -0.255346D+01  0.478513D+00 -0.345240D+01  0.136496D+01
      2   0.847092D+01  0.247105D+01  0.707332D+01 -0.215836D+01  0.794302D+01
      3  -0.298032D+01  0.824101D-01 -0.755184D+01  0.561076D+01 -0.930798D+01
      4  -0.771431D+01  0.519538D+01 -0.330911D+01  0.234492D+01 -0.274186D+01
      5   0.580627D+00 -0.195111D+01  0.378197D+01 -0.490114D+01  0.962637D+01
      6  -0.342569D+01  0.889106D+01 -0.134220D+02  0.104714D+02 -0.191416D+02
                36            37            38            39            40 
      1   0.128532D+02  0.662545D+01  0.411831D+01  0.110009D+01 -0.303672D+01
      2  -0.109792D+02  0.767155D+00 -0.161378D+01  0.976418D+00  0.398869D+01
      3  -0.187402D+01 -0.739260D+01 -0.250453D+01 -0.207650D+01 -0.951970D+00
      4   0.127478D+02  0.106068D+02  0.195774D+02 -0.897192D+00  0.107195D+02
      5   0.821263D+01  0.154123D+01  0.491046D+00  0.954740D+01  0.602039D+00
      6  -0.139611D+02  0.859454D+00 -0.137304D+01 -0.177658D+01  0.409126D+00
                41            42            43            44            45 
      1  -0.170912D+02  0.162694D+01 -0.193744D+00  0.517699D+00 -0.449601D+01
      2   0.274529D+02 -0.759557D+00  0.448530D+00  0.862261D-01  0.330981D+01
      3  -0.103618D+02 -0.867379D+00 -0.254786D+00 -0.603925D+00  0.118620D+01
      4   0.944401D+01 -0.101104D+01 -0.939318D+00 -0.170754D+01  0.575323D+01
      5   0.972513D+00 -0.274506D+01  0.332764D+01  0.419023D+01 -0.201950D+01
      6  -0.364616D+00  0.103995D+02  0.190115D+01  0.914685D+01 -0.219661D+01
                46            47            48            49            50 
      1   0.102005D+03 -0.882969D+01 -0.367845D+01 -0.116768D+02  0.769193D+01
      2  -0.583621D+02  0.443528D+01  0.331894D+01  0.687484D+01 -0.236493D-02
      3  -0.436429D+02  0.439441D+01  0.359506D+00  0.480192D+01 -0.768957D+01
      4  -0.779883D+01  0.230120D+02  0.520401D+00  0.208459D+02 -0.857712D+01
      5  -0.235594D+01  0.121085D+00  0.243820D+02  0.118123D+01 -0.116912D+01
      6   0.158279D+00  0.896772D+00 -0.256798D+01 -0.866905D+00 -0.370453D+00
                51            52            53            54            55 
      1   0.931503D+00 -0.907267D+01  0.139509D+01  0.132871D+02 -0.123129D+01
      2  -0.411211D+00  0.657618D+01  0.443328D-01 -0.116145D+02 -0.138344D+01
      3  -0.520291D+00  0.249649D+01 -0.143942D+01 -0.167263D+01  0.261473D+01
      4  -0.222137D+01  0.156005D+01 -0.341219D+01 -0.108240D+01  0.164374D+02
      5  -0.553538D+01  0.241989D+02 -0.347059D+01 -0.780560D+01  0.567564D+00
      6   0.511305D+01 -0.303826D+00  0.425637D+01  0.814233D-02 -0.185393D+01
                56            57            58            59            60 
      1  -0.413461D+01  0.802694D+00 -0.280678D+01 -0.245226D+02 -0.186898D+01
      2   0.895227D+01  0.111125D+01  0.228309D+01  0.385037D+02 -0.511425D+01
      3  -0.481765D+01 -0.191395D+01  0.523684D+00 -0.139812D+02  0.698323D+01
      4  -0.619907D+01 -0.183240D+01  0.398690D+01 -0.256837D+01  0.153432D+01
      5  -0.108483D+01  0.261628D+01  0.825318D+00  0.234290D+00 -0.246687D+01
      6   0.699196D+00  0.185438D+01  0.142570D+01 -0.277300D+01  0.102320D+02
                61            62            63            64            65 
      1   0.284271D+00 -0.585757D+00 -0.661880D+01 -0.500629D+00  0.107223D+01
      2   0.652538D+00  0.285452D+01  0.118054D+01 -0.426725D+01 -0.608170D+00
      3  -0.936809D+00 -0.226877D+01  0.543826D+01  0.476788D+01 -0.464057D+00
      4  -0.167451D+01  0.180537D+01  0.708469D+00  0.114474D+01  0.234996D+01
      5   0.253328D+01 -0.102838D+01 -0.133708D+00  0.560027D+00 -0.281811D+00
      6   0.103566D+01  0.849356D+01  0.850074D-01 -0.148894D+01  0.177234D+00
                66            67            68            69            70 
      1   0.550360D+00 -0.142145D+00 -0.395588D+01  0.692860D+00  0.154676D+01
      2  -0.594652D-01  0.488149D+00  0.572768D+00 -0.313689D+01  0.455513D+00
      3  -0.490895D+00 -0.346005D+00  0.338311D+01  0.244403D+01 -0.200228D+01
      4  -0.161505D+01  0.184577D+01  0.308978D-01  0.558190D+00 -0.166183D+01
      5   0.735832D+01  0.408561D+00  0.340025D+00 -0.653463D-01  0.592542D+01
      6  -0.152600D+00  0.153929D+00 -0.166386D+01  0.690874D+01  0.754929D+00
                71            72            73            74            75 
      1   0.333120D+01 -0.219192D+02  0.816472D+00  0.307767D+01 -0.461348D+00
      2  -0.299049D+01 -0.215899D+02  0.457405D+01 -0.962762D+01  0.214105D+01
      3  -0.340707D+00  0.435090D+02 -0.539052D+01  0.654994D+01 -0.167970D+01
      4   0.168137D+01  0.185556D+01 -0.969239D+01  0.138982D+02 -0.595539D+01
      5   0.278565D+00  0.452060D+01  0.357468D+01 -0.335845D+01  0.410049D+01
      6   0.625545D+01 -0.119870D+02 -0.599734D+01  0.478784D+01 -0.507034D+01
                76            77            78            79            80 
      1   0.415448D+01 -0.151164D+02  0.513867D+01 -0.525077D+00  0.895273D+01
      2  -0.864246D+01  0.284078D+02 -0.943327D+01  0.260570D+01 -0.152504D+02
      3   0.448798D+01 -0.132914D+02  0.429460D+01 -0.208062D+01  0.629769D+01
      4   0.100401D+02 -0.145711D+02  0.515654D+01 -0.765818D+01  0.891987D+01
      5  -0.242923D+01  0.377669D+01 -0.354417D+01  0.466689D+01 -0.536396D+01
      6   0.360462D+01 -0.126239D+02  0.105370D+02 -0.630899D+01  0.150192D+02
                81            82            83            84            85 
      1  -0.805437D+01 -0.853059D+00  0.125823D+01  0.114945D+00  0.257748D+01
      2   0.768577D+01  0.209658D+00 -0.272722D+01  0.235590D+00 -0.373197D+01
      3   0.368595D+00  0.643401D+00  0.146900D+01 -0.350535D+00  0.115448D+01
      4  -0.738056D+01 -0.362826D+01  0.707506D+01  0.535344D+01  0.488831D+01
      5   0.437284D+01 -0.327689D+01  0.319669D+01  0.683467D+01  0.161816D+01
      6  -0.106038D+02  0.580600D+01 -0.252645D+01 -0.453444D+01 -0.204782D+01
                86            87            88            89            90 
      1  -0.976595D+01 -0.698673D+01  0.176030D+01 -0.120192D+02 -0.176074D+02
      2   0.114008D+02  0.627495D+01  0.102971D+01  0.895434D+01  0.369677D+01
      3  -0.163483D+01  0.711773D+00 -0.279001D+01  0.306482D+01  0.139106D+02
      4  -0.577178D+01 -0.250694D+01  0.643239D+01 -0.583224D+01 -0.794777D+01
      5  -0.287568D+01 -0.297493D+01  0.760836D+01 -0.644487D+01 -0.106554D+02
      6   0.106345D+02  0.129581D+02 -0.695149D+01  0.199872D+02  0.276508D+02
                91            92            93            94            95 
      1   0.687740D+01  0.358485D+01 -0.912645D+00 -0.913637D+00 -0.114679D+01
      2   0.347266D+01 -0.126932D+02 -0.100735D+01 -0.366281D+01  0.711843D+01
      3  -0.103501D+02  0.910838D+01  0.192000D+01  0.457645D+01 -0.597164D+01
      4  -0.229560D+02  0.193018D+02  0.265008D+01  0.878741D+01 -0.806147D+01
      5  -0.626174D+00  0.573073D+00  0.243182D+01  0.175613D+00 -0.453964D+00
      6   0.216918D+01 -0.481486D+00 -0.437321D+01 -0.680200D+00  0.447882D+00
                96            97            98            99           100 
      1   0.910305D-01 -0.197620D+00 -0.124372D+01 -0.938962D+00  0.507055D+01
      2   0.339512D+00 -0.898592D+00  0.220820D+01  0.491378D+00  0.872630D+01
      3  -0.430542D+00  0.109621D+01 -0.964473D+00  0.447584D+00 -0.137969D+02
      4  -0.872257D+00  0.335582D+01 -0.263535D+01 -0.350793D+01  0.872575D+01
      5  -0.100846D+01  0.329588D+01 -0.242653D+01 -0.763178D+00 -0.118159D+02
      6   0.229835D+01 -0.297646D+01  0.409682D+01  0.188884D+01  0.954608D+01
               101           102           103           104           105 
      1   0.895912D+01 -0.162026D+02  0.118655D+02 -0.155160D+01  0.154379D+01
      2  -0.638147D+01  0.367569D+01 -0.982156D+01 -0.143929D+00 -0.779900D+01
      3  -0.257765D+01  0.125269D+02 -0.204389D+01  0.169553D+01  0.625521D+01
      4  -0.578453D+01  0.326884D+01 -0.898056D+01 -0.120112D+02 -0.846131D+01
      5   0.980392D+01 -0.114702D+02  0.104499D+02 -0.133111D+02  0.669105D+01
      6  -0.774389D+01  0.208350D+01 -0.102032D+02 -0.131912D+02 -0.745506D+01
               106           107           108           109           110 
      1  -0.137549D+02  0.236629D-01 -0.343225D+01 -0.119592D+02  0.170620D+02
      2   0.228967D+01 -0.672954D+01 -0.702800D+01  0.673796D+00 -0.976802D+01
      3   0.114652D+02  0.670588D+01  0.104603D+02  0.112854D+02 -0.729402D+01
      4   0.219908D+01 -0.462926D+01  0.594567D+01  0.173875D+02 -0.168059D+02
      5  -0.113952D+02  0.552559D+01  0.139437D+02 -0.184435D+02 -0.950787D+00
      6   0.234503D+01 -0.604767D+01  0.747653D+01 -0.418490D+01  0.317629D+01
               111           112           113           114           115 
      1  -0.163703D+02  0.223424D+02 -0.162397D+02  0.430967D+01 -0.211357D+02
      2   0.963010D+01 -0.155107D+02  0.558815D+00  0.285805D+00  0.913517D+01
      3   0.674024D+01 -0.683164D+01  0.156809D+02 -0.459547D+01  0.120005D+02
      4   0.113939D+01 -0.243774D+02 -0.236326D+02 -0.374004D+01  0.260869D+01
      5   0.887799D+01 -0.654890D+00 -0.216580D+01  0.726696D+01  0.656707D+01
      6   0.455308D+00  0.491950D+01  0.512200D+01  0.147534D+01  0.977943D+00
               116           117           118           119           120 
      1   0.519178D+01  0.151090D+02 -0.781516D+01 -0.237922D+01  0.137003D+02
      2  -0.108599D+01  0.682409D+01 -0.298460D+01  0.505447D+00  0.519336D+01
      3  -0.410579D+01 -0.219331D+02  0.107998D+02  0.187377D+01 -0.188937D+02
      4  -0.640439D+01  0.822007D+01 -0.146224D+01  0.948000D+00  0.310162D+00
      5   0.691684D+01  0.247382D+02 -0.104764D+02 -0.263439D+01  0.644245D+01
      6   0.160286D+01 -0.238893D+01 -0.296268D+01 -0.401099D+01  0.156937D+01
               121           122           123           124           125 
      1  -0.342632D+01 -0.330080D+01  0.328761D+01  0.950188D+01  0.195207D+01
      2   0.137279D+01  0.506157D+00  0.183909D+01  0.282618D+01  0.143861D+01
      3   0.205353D+01  0.279464D+01 -0.512670D+01 -0.123281D+02 -0.339068D+01
      4   0.220631D+01  0.112720D+01  0.887689D+00  0.558204D+00  0.534961D+00
      5  -0.294520D+01 -0.173741D+00 -0.681465D+00  0.853888D+01  0.427146D+00
      6  -0.237616D+01 -0.110262D+01  0.606201D+01  0.139537D+01  0.498905D+01
               126           127           128           129           130 
      1  -0.142387D+02  0.145170D+01  0.138476D+01  0.198560D+01  0.199491D+01
      2  -0.781841D+01 -0.911660D+00  0.582137D+00 -0.994084D+00  0.245705D+00
      3   0.220571D+02 -0.540045D+00 -0.196689D+01 -0.991513D+00 -0.224062D+01
      4  -0.980503D+00  0.416012D+01  0.780429D+01  0.200791D+01  0.962079D+01
      5  -0.506349D+01  0.463464D+01  0.345558D+01  0.532000D+01  0.642764D+01
      6  -0.250096D+01  0.259670D+01  0.470345D+01  0.181586D+01  0.669932D+01
               131           132           133           134           135 
      1  -0.854265D+01 -0.642685D+01  0.745557D+00 -0.413931D+01 -0.421964D+01
      2   0.128243D+02 -0.197544D+00 -0.101291D+01  0.244881D+00  0.238429D+00
      3  -0.428169D+01  0.662440D+01  0.267357D+00  0.389443D+01  0.398121D+01
      4   0.195595D+02  0.737864D+01  0.792643D+00  0.358412D+01  0.302607D+01
      5   0.988790D+01  0.794162D+01  0.406603D+01  0.354002D+01  0.246941D+01
      6   0.243947D+02  0.129644D+02  0.175625D+01  0.989881D+01  0.589651D+01
               136           137           138           139           140 
      1   0.186815D+02 -0.538966D+01  0.567558D+01 -0.765164D+01  0.203234D+01
      2  -0.168583D+02  0.427578D+01 -0.111588D+02  0.623235D+01 -0.122250D+01
      3  -0.182325D+01  0.111388D+01  0.548324D+01  0.141929D+01 -0.809841D+00
      4  -0.817290D+01  0.811451D+01 -0.406442D+01  0.892547D+01 -0.719204D+01
      5   0.249492D+02 -0.873612D+01  0.197803D+02 -0.125554D+02  0.951773D+01
      6  -0.742354D+01  0.762222D+01 -0.478286D+01  0.779681D+01 -0.684667D+01
               141           142           143           144           145 
      1   0.158702D+00  0.367762D+01  0.319212D+00  0.134434D+00  0.500191D+00
      2   0.598832D+01 -0.788323D+01  0.358890D+01 -0.918000D+01 -0.221076D+01
      3  -0.614702D+01  0.420561D+01 -0.390811D+01  0.904556D+01  0.171057D+01
      4   0.582147D+01 -0.244368D+01  0.316155D+01 -0.410894D+01 -0.193311D+01
      5  -0.106950D+02  0.146657D+02 -0.601440D+01  0.135292D+02 -0.167422D+01
      6   0.760849D+01 -0.397046D+01  0.525357D+01 -0.564631D+01  0.684825D+00
               146           147           148           149           150 
      1  -0.229193D+01 -0.446623D+01 -0.390401D+01 -0.591505D+00 -0.197027D+01
      2   0.131540D+01  0.143015D+01  0.274668D+01 -0.542724D+00 -0.156024D+01
      3   0.976532D+00  0.303609D+01  0.115732D+01  0.113423D+01  0.353052D+01
      4   0.185701D+01 -0.155893D+00  0.419894D+01  0.380137D+00 -0.421196D+01
      5   0.594289D+00  0.412768D+01  0.192331D+01 -0.388392D+01 -0.506913D+01
      6   0.454209D+00  0.122624D+00 -0.107924D+01  0.128611D+01  0.618577D+01
               151           152           153           154           155 
      1  -0.667854D+01 -0.170526D+01 -0.149364D+02  0.524841D+02 -0.157052D+02
      2   0.676675D+01 -0.838522D+00 -0.187824D+02 -0.245570D+02  0.647318D+01
      3  -0.882149D-01  0.254378D+01  0.337189D+02 -0.279271D+02  0.923206D+01
      4  -0.703502D+00 -0.524549D+01 -0.363509D+01 -0.169736D+02  0.150544D+02
      5   0.122649D+02 -0.281451D+01 -0.388613D+02 -0.253088D+00 -0.357579D+00
      6   0.177509D+00  0.612685D+01  0.277816D+00  0.270012D+01 -0.270953D+01
               156           157           158           159           160 
      1   0.619940D+01 -0.246818D+02  0.123612D+02 -0.232777D+01  0.157908D+02
      2  -0.214522D+01  0.105630D+02 -0.176110D+01 -0.307607D+00 -0.707833D+01
      3  -0.405418D+01  0.141187D+02 -0.106001D+02  0.263538D+01 -0.871251D+01
      4  -0.220946D+01  0.190495D+02 -0.123007D+02  0.256825D+01 -0.469354D+01
      5   0.742933D+01  0.919600D+00  0.899221D+00 -0.643705D+01  0.737007D+01
      6  -0.163890D-01 -0.258974D+01  0.107458D+01  0.133366D+01 -0.620848D+00
               161           162           163           164           165 
      1  -0.361322D+01  0.438407D+01  0.125156D+02  0.640591D+01  0.114679D+01
      2   0.811637D+00 -0.403466D+01 -0.305642D+01 -0.507762D+00 -0.491638D+00
      3   0.280158D+01 -0.349403D+00 -0.945921D+01 -0.589815D+01 -0.655152D+00
      4   0.547108D+01 -0.434298D+01  0.976960D+01  0.154335D+02 -0.419231D+00
      5  -0.406302D+01  0.291529D+01 -0.953271D+00 -0.160937D+01  0.228866D+01
      6   0.796279D+00 -0.380141D+00 -0.144862D+01 -0.299161D+01  0.768118D+00
               166           167           168           169           170 
      1   0.114771D+02  0.459002D+01 -0.431683D+00  0.468220D+01  0.399101D+00
      2  -0.459383D+00  0.127498D+02  0.136432D+01 -0.127349D+01  0.121054D+01
      3  -0.110177D+02 -0.173398D+02 -0.932638D+00 -0.340871D+01 -0.160964D+01
      4   0.229244D+02  0.379914D+02 -0.890853D+00  0.154752D+01  0.309722D+01
      5  -0.409842D+01 -0.191035D+01  0.718422D+01  0.300875D+01  0.413876D+01
      6  -0.441084D+01 -0.940840D+01  0.455419D+01  0.161914D+01  0.369986D+01
               171 
      1  -0.117899D+01
      2  -0.173466D-01
      3   0.119634D+01
      4   0.362309D+01
      5  -0.187767D+01
      6   0.286908D-02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:44:32 2021, MaxMem= 10737418240 cpu:           12510.6 elap:             782.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20879 -19.16799 -19.15465 -10.32533 -10.26080
 Alpha  occ. eigenvalues --  -10.26064 -10.22341 -10.19473 -10.18795  -1.13002
 Alpha  occ. eigenvalues --   -1.05838  -1.04494  -0.84903  -0.74318  -0.72106
 Alpha  occ. eigenvalues --   -0.71174  -0.60138  -0.58258  -0.54395  -0.52732
 Alpha  occ. eigenvalues --   -0.49185  -0.48259  -0.46440  -0.44591  -0.43945
 Alpha  occ. eigenvalues --   -0.42411  -0.40388  -0.40021  -0.38524  -0.36738
 Alpha  occ. eigenvalues --   -0.35988  -0.34968  -0.31892  -0.30079  -0.28891
 Alpha virt. eigenvalues --   -0.02168  -0.01429   0.00182   0.00310   0.00654
 Alpha virt. eigenvalues --    0.02199   0.02753   0.03149   0.03346   0.03777
 Alpha virt. eigenvalues --    0.05777   0.06162   0.06433   0.07274   0.08229
 Alpha virt. eigenvalues --    0.08407   0.08790   0.09145   0.09336   0.09759
 Alpha virt. eigenvalues --    0.09958   0.10995   0.11361   0.11738   0.11875
 Alpha virt. eigenvalues --    0.12416   0.12722   0.13164   0.14077   0.14409
 Alpha virt. eigenvalues --    0.14548   0.14792   0.15115   0.15716   0.16750
 Alpha virt. eigenvalues --    0.17397   0.18007   0.18859   0.20160   0.20798
 Alpha virt. eigenvalues --    0.21176   0.22286   0.22967   0.23335   0.24096
 Alpha virt. eigenvalues --    0.24617   0.25223   0.25861   0.26471   0.26648
 Alpha virt. eigenvalues --    0.27359   0.27740   0.28089   0.28800   0.28973
 Alpha virt. eigenvalues --    0.29644   0.30397   0.31170   0.31876   0.32732
 Alpha virt. eigenvalues --    0.33216   0.33834   0.34657   0.35495   0.35722
 Alpha virt. eigenvalues --    0.36174   0.37100   0.37547   0.38374   0.38699
 Alpha virt. eigenvalues --    0.39260   0.39722   0.40056   0.41481   0.42211
 Alpha virt. eigenvalues --    0.42937   0.43607   0.44428   0.46305   0.47135
 Alpha virt. eigenvalues --    0.47410   0.48885   0.49474   0.50007   0.50954
 Alpha virt. eigenvalues --    0.51716   0.52048   0.52431   0.52917   0.53555
 Alpha virt. eigenvalues --    0.54365   0.56108   0.56602   0.57812   0.59080
 Alpha virt. eigenvalues --    0.59519   0.59812   0.60774   0.61850   0.62592
 Alpha virt. eigenvalues --    0.63498   0.64190   0.64977   0.65286   0.66468
 Alpha virt. eigenvalues --    0.67932   0.68273   0.69195   0.69973   0.70206
 Alpha virt. eigenvalues --    0.70788   0.72537   0.72852   0.73725   0.75470
 Alpha virt. eigenvalues --    0.75792   0.76755   0.76841   0.77709   0.79039
 Alpha virt. eigenvalues --    0.80292   0.82305   0.83062   0.84212   0.85280
 Alpha virt. eigenvalues --    0.85636   0.87665   0.88530   0.89520   0.91505
 Alpha virt. eigenvalues --    0.92098   0.92725   0.94688   0.98005   0.99498
 Alpha virt. eigenvalues --    1.01009   1.02334   1.03790   1.04994   1.05720
 Alpha virt. eigenvalues --    1.07542   1.09820   1.11217   1.13575   1.14241
 Alpha virt. eigenvalues --    1.14626   1.15340   1.18815   1.19816   1.20708
 Alpha virt. eigenvalues --    1.22184   1.24002   1.24888   1.26651   1.27362
 Alpha virt. eigenvalues --    1.30812   1.33090   1.35413   1.37962   1.38365
 Alpha virt. eigenvalues --    1.40555   1.41753   1.44854   1.46093   1.48286
 Alpha virt. eigenvalues --    1.49789   1.50886   1.51850   1.54190   1.55919
 Alpha virt. eigenvalues --    1.56808   1.58572   1.59672   1.62148   1.62882
 Alpha virt. eigenvalues --    1.63765   1.66850   1.67499   1.68953   1.71712
 Alpha virt. eigenvalues --    1.72504   1.73237   1.74364   1.74982   1.76621
 Alpha virt. eigenvalues --    1.77547   1.79055   1.81472   1.82111   1.84142
 Alpha virt. eigenvalues --    1.86428   1.87785   1.90082   1.93108   1.93334
 Alpha virt. eigenvalues --    1.94925   1.97603   2.00351   2.01311   2.02729
 Alpha virt. eigenvalues --    2.03979   2.05081   2.06222   2.07792   2.11772
 Alpha virt. eigenvalues --    2.13655   2.14918   2.16229   2.17588   2.20216
 Alpha virt. eigenvalues --    2.21468   2.25206   2.26679   2.28594   2.29628
 Alpha virt. eigenvalues --    2.31460   2.32891   2.34747   2.36084   2.37868
 Alpha virt. eigenvalues --    2.39478   2.41239   2.42514   2.45693   2.48703
 Alpha virt. eigenvalues --    2.52272   2.53207   2.56027   2.57240   2.60071
 Alpha virt. eigenvalues --    2.62437   2.63005   2.66132   2.68971   2.73828
 Alpha virt. eigenvalues --    2.76352   2.81811   2.85848   2.88571   2.98304
 Alpha virt. eigenvalues --    3.03090   3.04198   3.13253   3.19159   3.29804
 Alpha virt. eigenvalues --    3.35831   3.36521   3.41498   3.42414   3.44836
 Alpha virt. eigenvalues --    3.46569   3.48323   3.50594   3.52771   3.55909
 Alpha virt. eigenvalues --    3.62566   3.66421   3.71488   3.78652   3.93654
 Alpha virt. eigenvalues --    3.97143   4.10942
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.817756  -1.184587   0.347748  -0.277225  -0.135074   0.091977
     2  C   -1.184587   8.404245  -2.105725   0.036271   0.146245   0.013261
     3  C    0.347748  -2.105725  10.644138  -0.357558   0.116852   0.073539
     4  C   -0.277225   0.036271  -0.357558   5.533234   0.039342   0.027142
     5  O   -0.135074   0.146245   0.116852   0.039342   8.738689  -0.065834
     6  O    0.091977   0.013261   0.073539   0.027142  -0.065834   8.420914
     7  O   -0.002520  -0.118829  -0.045077   0.036934  -0.013679  -0.015597
     8  H   -0.077574  -0.703646   0.591319  -0.080059   0.003413   0.002240
     9  H   -0.050521   0.177208  -0.354065  -0.044240  -0.208241  -0.005867
    10  H    0.164357  -0.032949   0.313142  -0.358008  -0.079799  -0.013324
    11  H   -0.055243  -0.077791   0.057015  -0.010585   0.005212   0.025406
    12  C    0.077635  -0.390561  -0.072025  -0.188659   0.028338  -0.018276
    13  C   -0.240743   0.436219  -1.421362  -0.156431  -0.038039   0.024090
    14  H   -0.064513  -0.140520   0.454219  -0.079250   0.022488   0.021795
    15  H   -0.001858   0.138484  -0.078880  -0.071873  -0.000429  -0.003400
    16  H    0.055210  -0.094334   0.104064   0.111069  -0.006611  -0.004965
    17  H    0.046565  -0.026019   0.149532   0.078506  -0.003885  -0.000956
    18  H   -0.025015   0.020916   0.062861  -0.026988   0.013857   0.001576
    19  H   -0.022513   0.019114   0.077273  -0.028389  -0.006380   0.000924
               7          8          9         10         11         12
     1  C   -0.002520  -0.077574  -0.050521   0.164357  -0.055243   0.077635
     2  C   -0.118829  -0.703646   0.177208  -0.032949  -0.077791  -0.390561
     3  C   -0.045077   0.591319  -0.354065   0.313142   0.057015  -0.072025
     4  C    0.036934  -0.080059  -0.044240  -0.358008  -0.010585  -0.188659
     5  O   -0.013679   0.003413  -0.208241  -0.079799   0.005212   0.028338
     6  O   -0.015597   0.002240  -0.005867  -0.013324   0.025406  -0.018276
     7  O    8.517637  -0.156332   0.001489   0.002216   0.323024  -0.014550
     8  H   -0.156332   1.953990   0.021659  -0.017153   0.035587   0.103000
     9  H    0.001489   0.021659   2.545626  -0.628521  -0.000246  -0.177985
    10  H    0.002216  -0.017153  -0.628521   2.371153   0.001485   0.138169
    11  H    0.323024   0.035587  -0.000246   0.001485   0.622526  -0.008898
    12  C   -0.014550   0.103000  -0.177985   0.138169  -0.008898   5.310581
    13  C    0.045643  -0.185874   0.276473  -0.331433  -0.016011  -0.403225
    14  H    0.023331   0.012454  -0.042972   0.027430  -0.006989  -0.002110
    15  H   -0.050944   0.032018   0.033836  -0.025710  -0.002664   0.119374
    16  H    0.016628  -0.017593  -0.082852   0.039012   0.004740  -0.062597
    17  H    0.019412  -0.038912   0.014982  -0.028323   0.001354  -0.051128
    18  H   -0.009002   0.017124  -0.006882  -0.018399  -0.000911   0.093554
    19  H    0.006256  -0.042309   0.006894  -0.005368  -0.002986  -0.040915
              13         14         15         16         17         18
     1  C   -0.240743  -0.064513  -0.001858   0.055210   0.046565  -0.025015
     2  C    0.436219  -0.140520   0.138484  -0.094334  -0.026019   0.020916
     3  C   -1.421362   0.454219  -0.078880   0.104064   0.149532   0.062861
     4  C   -0.156431  -0.079250  -0.071873   0.111069   0.078506  -0.026988
     5  O   -0.038039   0.022488  -0.000429  -0.006611  -0.003885   0.013857
     6  O    0.024090   0.021795  -0.003400  -0.004965  -0.000956   0.001576
     7  O    0.045643   0.023331  -0.050944   0.016628   0.019412  -0.009002
     8  H   -0.185874   0.012454   0.032018  -0.017593  -0.038912   0.017124
     9  H    0.276473  -0.042972   0.033836  -0.082852   0.014982  -0.006882
    10  H   -0.331433   0.027430  -0.025710   0.039012  -0.028323  -0.018399
    11  H   -0.016011  -0.006989  -0.002664   0.004740   0.001354  -0.000911
    12  C   -0.403225  -0.002110   0.119374  -0.062597  -0.051128   0.093554
    13  C    6.112217  -0.115838   0.093680   0.053716  -0.129649   0.007723
    14  H   -0.115838   2.107897  -0.511002  -0.430947  -0.031054  -0.000231
    15  H    0.093680  -0.511002   2.228149  -0.629496   0.020817   0.031657
    16  H    0.053716  -0.430947  -0.629496   2.262751   0.020468  -0.050519
    17  H   -0.129649  -0.031054   0.020817   0.020468   2.242121  -0.472515
    18  H    0.007723  -0.000231   0.031657  -0.050519  -0.472515   2.036001
    19  H    0.256602   0.021230  -0.074488   0.017216  -0.460356  -0.480457
              19
     1  C   -0.022513
     2  C    0.019114
     3  C    0.077273
     4  C   -0.028389
     5  O   -0.006380
     6  O    0.000924
     7  O    0.006256
     8  H   -0.042309
     9  H    0.006894
    10  H   -0.005368
    11  H   -0.002986
    12  C   -0.040915
    13  C    0.256602
    14  H    0.021230
    15  H   -0.074488
    16  H    0.017216
    17  H   -0.460356
    18  H   -0.480457
    19  H    1.928833
 Mulliken charges:
               1
     1  C    0.536140
     2  C    1.482999
     3  C   -2.557010
     4  C    1.816766
     5  O   -0.556466
     6  O   -0.574643
     7  O   -0.566041
     8  H   -0.453352
     9  H   -0.475775
    10  H   -0.517976
    11  H    0.105976
    12  C    1.560277
    13  C    1.732243
    14  H   -0.265417
    15  H   -0.247272
    16  H   -0.304961
    17  H   -0.350960
    18  H   -0.194349
    19  H   -0.170181
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.536140
     2  C    1.029648
     3  C   -2.557010
     4  C    0.823016
     5  O   -0.556466
     6  O   -0.574643
     7  O   -0.460065
    12  C    0.742627
    13  C    1.016754
 Electronic spatial extent (au):  <R**2>=           1088.1715
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.5541    Y=             -0.8691    Z=             -0.7471  Tot=              3.7343
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -61.3649   YY=            -56.7875   ZZ=            -52.5717
   XY=             -4.4245   XZ=              0.9057   YZ=              0.7525
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.4569   YY=              0.1205   ZZ=              4.3363
   XY=             -4.4245   XZ=              0.9057   YZ=              0.7525
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             15.0193  YYY=             -3.0888  ZZZ=             -2.9649  XYY=             -3.5667
  XXY=              6.2664  XXZ=             -1.0039  XZZ=             -4.8829  YZZ=             -0.6547
  YYZ=              1.7344  XYZ=             -1.2941
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -816.0190 YYYY=           -431.1533 ZZZZ=           -241.1919 XXXY=             -9.3623
 XXXZ=              7.4758 YYYX=            -24.2880 YYYZ=              5.1274 ZZZX=             -1.9169
 ZZZY=             -0.0789 XXYY=           -182.0355 XXZZ=           -164.2404 YYZZ=           -110.2169
 XXYZ=             -0.1410 YYXZ=              0.1954 ZZXY=             -1.0696
 N-N= 4.972589408924D+02 E-N=-2.070148676881D+03  KE= 4.577281344634D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:44:33 2021, MaxMem= 10737418240 cpu:               6.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.35843125D+00-3.17516348D-01-2.85117247D-01
 Polarizability= 8.74530308D+01-4.41639386D+00 7.59242529D+01
                -1.64995895D+00 1.02113101D+00 6.90442118D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9753    0.9746       -2.2349   -2.2357
 2     -0.9753   -0.9746       -0.4381   -0.4375       -6.1436   -6.1435
 3      2.2349    2.2357        9.9595    9.9600        0.4374    0.4375
 4      0.4381    0.4375        0.0000    0.0000        2.2363    2.2357
 5     -3.8158   -3.8166       -2.2363   -2.2357        0.9750    0.9746
 6     -0.4374   -0.4375       -0.9750   -0.9746       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.9239   -2.9239       -6.7071   -6.7071
 2      1.3124    1.3124        0.0000    0.0000       -6.7071   -6.7071
 3      1.3124    1.3124       -2.9239   -2.9239       -0.0000    0.0000
 4     -2.9239   -2.9239       -1.3124   -1.3124      -18.4304  -18.4304
 5      6.7071    6.7071       29.8801   29.8801        1.3124    1.3124
 6    -11.4497  -11.4497       -6.7071   -6.7071        2.9239    2.9239
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0173    0.0000       -3.8910   -3.8985        8.9516    8.9427
 2      3.9034    3.8985        1.7368    1.7499       24.5420   24.5738
 3     -8.9585   -8.9427      -39.8704  -39.8401       -1.7416   -1.7499
 4     -1.7392   -1.7499        0.0066    0.0000       -8.9653   -8.9427
 5     15.3121   15.2663        8.9362    8.9427       -3.8801   -3.8985
 6      1.7382    1.7499        3.8817    3.8985       -0.0092    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0108    0.0000      -15.3027  -15.3344       -2.3495   -2.3433
 2     15.3257   15.3344       17.8347   17.7670       -4.3254   -4.3597
 3      2.2623    2.3433        1.6218    1.6268      -17.8591  -17.7670
 4    -17.7826  -17.7670        0.0115    0.0000        2.3233    2.3433
 5      2.7233    2.7329       -2.3556   -2.3433      -15.3231  -15.3344
 6     17.8050   17.7670       15.2680   15.3344        0.0502    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.3558   -7.3154       -5.9006   -5.8774        2.9432    2.9604
 2    -33.3826  -33.2972      -20.9877  -21.0144        2.9078    2.9604
 3    -33.3265  -33.2972       -5.8645   -5.8774        5.1386    5.1863
 4     15.1779   15.1370       26.0259   25.9818       -1.3266   -1.3382
 5      2.2106    2.2259       -2.1437   -2.1191      -25.9510  -25.9818
 6      3.4007    3.4574       -2.2589   -2.2259      -15.1587  -15.1370
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9763   -3.8367   -0.0006    0.0003    0.0006    5.5109
 Low frequencies ---   97.0353  188.6123  212.9301
 Diagonal vibrational polarizability:
        8.3247677      22.6362795      21.5526576
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     97.0351               188.6119               212.9300
 Red. masses --      5.5520                 3.5368                 1.2401
 Frc consts  --      0.0308                 0.0741                 0.0331
 IR Inten    --      0.4994                 1.8650                 1.4662
 RamAct Fr= 1--      0.6076                 0.6915                 0.2050
  Dep-P Fr= 1--      0.7402                 0.7173                 0.6628
  Dep-U Fr= 1--      0.8507                 0.8354                 0.7972
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0861                 0.0963                 0.0272
 AlphaG Fr= 1--     -0.0000                -0.0021                -0.0025
 Gamma2 Fr= 1--      0.0057                -0.1413                -0.0318
 Delta2 Fr= 1--     -0.0003                -0.0546                 0.0389
 Raman1 Fr= 1--       2.430                  2.766                  0.820
 ROA1   Fr= 1--       0.537                -15.310                 -1.809
 CID1   Fr= 1--       0.221                 -5.535                 -2.206
 Raman2 Fr= 1--       1.034                  1.155                  0.327
 ROA2   Fr= 1--       0.139                 -2.954                 -1.075
 CID2   Fr= 1--       0.134                 -2.557                 -3.288
 Raman3 Fr= 1--       2.068                  2.311                  0.654
 ROA3   Fr= 1--       0.537                -15.310                 -1.809
 CID3   Fr= 1--       0.260                 -6.625                 -2.767
 RC180  Fr= 1--       0.701                  0.671                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.07    -0.02   0.01   0.05    -0.01  -0.00  -0.00
     2   6     0.00  -0.04  -0.09    -0.00  -0.02   0.01     0.00  -0.02   0.00
     3   6    -0.02  -0.01  -0.01     0.00  -0.01  -0.01    -0.01  -0.02   0.00
     4   6     0.01   0.00  -0.15    -0.02   0.02  -0.08    -0.00  -0.03   0.02
     5   8     0.01  -0.02  -0.07     0.03   0.04   0.27    -0.02  -0.01  -0.03
     6   8     0.09   0.05   0.33    -0.06  -0.02  -0.15    -0.00   0.00   0.01
     7   8     0.02   0.02  -0.28     0.09   0.01  -0.07     0.08  -0.02   0.02
     8   1    -0.01  -0.19  -0.08    -0.02  -0.09   0.01    -0.01  -0.01   0.00
     9   1     0.04  -0.07  -0.24     0.13  -0.08  -0.27    -0.04  -0.01   0.05
    10   1    -0.03   0.12  -0.20    -0.28   0.15  -0.17     0.03  -0.06   0.04
    11   1     0.06  -0.03  -0.01     0.07   0.16  -0.27     0.08   0.06  -0.03
    12   6    -0.21  -0.10   0.03     0.01  -0.19   0.02    -0.01   0.00  -0.00
    13   6     0.05   0.08   0.16    -0.03   0.15  -0.00    -0.04   0.08  -0.02
    14   1    -0.25  -0.21  -0.08     0.08  -0.42   0.01    -0.11   0.24  -0.04
    15   1    -0.31  -0.09   0.12    -0.14  -0.19   0.17     0.23  -0.04  -0.03
    16   1    -0.21  -0.06   0.09     0.12  -0.12  -0.10    -0.17  -0.18   0.06
    17   1     0.19   0.14   0.13    -0.02   0.21  -0.02     0.09  -0.34   0.04
    18   1     0.04   0.10   0.23     0.05   0.24  -0.05     0.13   0.47   0.26
    19   1    -0.02   0.09   0.26    -0.17   0.18   0.05    -0.38   0.22  -0.37
                      4                      5                      6
                      A                      A                      A
 Frequencies --    230.2449               257.9348               260.7104
 Red. masses --      1.6968                 2.4618                 1.7837
 Frc consts  --      0.0530                 0.0965                 0.0714
 IR Inten    --      2.4795                26.0061                 4.1396
 RamAct Fr= 1--      0.1485                 0.0927                 0.3481
  Dep-P Fr= 1--      0.6912                 0.3774                 0.3176
  Dep-U Fr= 1--      0.8174                 0.5480                 0.4821
 Alpha2 Fr= 1--      0.0002                 0.0007                 0.0034
 Beta2  Fr= 1--      0.0202                 0.0085                 0.0280
 AlphaG Fr= 1--      0.0020                 0.0055                -0.0067
 Gamma2 Fr= 1--     -0.1201                -0.0452                 0.0549
 Delta2 Fr= 1--     -0.1442                -0.0315                 0.0048
 Raman1 Fr= 1--       0.594                  0.371                  1.393
 ROA1   Fr= 1--     -16.146                 -5.349                  5.422
 CID1   Fr= 1--     -27.175                -14.428                  3.894
 Raman2 Fr= 1--       0.243                  0.102                  0.336
 ROA2   Fr= 1--      -1.729                 -0.833                  1.279
 CID2   Fr= 1--      -7.119                 -8.205                  3.811
 Raman3 Fr= 1--       0.486                  0.203                  0.671
 ROA3   Fr= 1--     -16.146                 -5.349                  5.422
 CID3   Fr= 1--     -33.247                -26.328                  8.078
 RC180  Fr= 1--       0.635                  0.096                 -0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00    -0.04  -0.02   0.04    -0.02   0.00   0.01
     2   6    -0.00   0.03  -0.04    -0.02  -0.00   0.01    -0.01  -0.00   0.05
     3   6     0.01   0.02  -0.05    -0.03   0.01  -0.02     0.00   0.01   0.06
     4   6     0.00   0.04  -0.08     0.01   0.01   0.00    -0.00   0.01   0.03
     5   8     0.04   0.02   0.11     0.01  -0.02  -0.03    -0.02  -0.01  -0.06
     6   8     0.01  -0.01  -0.01    -0.07  -0.13   0.02    -0.03  -0.02  -0.01
     7   8    -0.06  -0.01   0.05     0.23   0.03   0.04    -0.04   0.04  -0.12
     8   1    -0.03   0.08  -0.04    -0.10  -0.02   0.01     0.03  -0.11   0.05
     9   1     0.11  -0.01  -0.20     0.02   0.04   0.02    -0.04   0.01   0.04
    10   1    -0.13   0.12  -0.14     0.04  -0.01   0.01     0.06   0.02   0.04
    11   1    -0.08  -0.06   0.03     0.22   0.37  -0.33    -0.04   0.01  -0.07
    12   6    -0.07   0.01  -0.04    -0.10   0.09  -0.02     0.14  -0.07   0.07
    13   6     0.07  -0.07   0.03    -0.03   0.01  -0.01    -0.03   0.04   0.01
    14   1    -0.26   0.45  -0.15    -0.17   0.24  -0.07     0.05   0.33   0.09
    15   1     0.38  -0.07  -0.07     0.02   0.07  -0.08     0.63  -0.16   0.08
    16   1    -0.39  -0.34   0.10    -0.20   0.01   0.08    -0.10  -0.44   0.03
    17   1     0.15  -0.10   0.02    -0.15   0.36  -0.06    -0.14   0.25  -0.01
    18   1    -0.00  -0.13   0.11    -0.13  -0.26  -0.26    -0.05  -0.09  -0.17
    19   1     0.15  -0.09   0.01     0.18  -0.08   0.29     0.06  -0.01   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    299.7248               344.2964               358.3916
 Red. masses --      2.3410                 2.4059                 1.1906
 Frc consts  --      0.1239                 0.1680                 0.0901
 IR Inten    --      5.6531                 6.1980                69.7190
 RamAct Fr= 1--      1.0933                 0.7927                 1.0618
  Dep-P Fr= 1--      0.3482                 0.5994                 0.7294
  Dep-U Fr= 1--      0.5165                 0.7496                 0.8435
 Alpha2 Fr= 1--      0.0097                 0.0022                 0.0004
 Beta2  Fr= 1--      0.0941                 0.0990                 0.1493
 AlphaG Fr= 1--     -0.0069                 0.0027                -0.0075
 Gamma2 Fr= 1--     -0.1890                -0.1742                 0.0834
 Delta2 Fr= 1--     -0.0751                -0.0529                 0.0731
 Raman1 Fr= 1--       4.373                  3.171                  4.247
 ROA1   Fr= 1--     -20.548                -18.414                 10.347
 CID1   Fr= 1--      -4.699                 -5.807                  2.436
 Raman2 Fr= 1--       1.129                  1.188                  1.791
 ROA2   Fr= 1--      -3.935                 -3.756                  1.417
 CID2   Fr= 1--      -3.484                 -3.161                  0.791
 Raman3 Fr= 1--       2.259                  2.377                  3.583
 ROA3   Fr= 1--     -20.548                -18.414                 10.347
 CID3   Fr= 1--      -9.097                 -7.747                  2.888
 RC180  Fr= 1--       0.033                  0.499                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.05    -0.05  -0.02   0.00    -0.02  -0.01  -0.01
     2   6     0.03  -0.06  -0.05    -0.02  -0.07  -0.02    -0.00   0.00   0.01
     3   6     0.01  -0.04  -0.03    -0.01  -0.04  -0.02    -0.00  -0.02  -0.00
     4   6     0.01  -0.07   0.08    -0.07  -0.04  -0.08    -0.01  -0.01  -0.01
     5   8    -0.01  -0.02   0.04    -0.08  -0.03   0.00    -0.01   0.00   0.02
     6   8     0.10   0.14  -0.01    -0.03   0.05   0.01    -0.03  -0.04  -0.02
     7   8    -0.02  -0.10   0.05     0.01  -0.10   0.04     0.05   0.03  -0.04
     8   1     0.05   0.01  -0.05    -0.03  -0.07  -0.02    -0.01   0.02   0.01
     9   1    -0.04   0.01   0.20    -0.05  -0.12  -0.18    -0.01  -0.04  -0.05
    10   1     0.04  -0.21   0.14    -0.14   0.06  -0.13    -0.05   0.02  -0.03
    11   1    -0.01  -0.21   0.16    -0.03   0.01  -0.28     0.19  -0.21   0.93
    12   6    -0.09  -0.01  -0.03     0.14   0.12  -0.08     0.01   0.03  -0.02
    13   6    -0.05   0.14  -0.05     0.07   0.08   0.15     0.00   0.01   0.02
    14   1    -0.18   0.14  -0.11     0.24   0.21   0.11     0.02   0.08   0.01
    15   1     0.04  -0.03  -0.04     0.15   0.15  -0.29     0.02   0.04  -0.09
    16   1    -0.22  -0.12   0.08     0.23   0.21  -0.12     0.01   0.06   0.01
    17   1    -0.20   0.54  -0.11     0.29   0.23   0.10     0.02   0.06   0.01
    18   1    -0.01  -0.00  -0.39     0.04   0.09   0.23     0.01   0.01   0.01
    19   1    -0.03   0.09   0.29    -0.02   0.08   0.37    -0.02   0.01   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    385.4662               512.1437               547.9256
 Red. masses --      2.2147                 4.2067                 5.0902
 Frc consts  --      0.1939                 0.6501                 0.9004
 IR Inten    --      0.5740                10.6986                 2.0701
 RamAct Fr= 1--      0.7613                 1.7056                 3.1617
  Dep-P Fr= 1--      0.4559                 0.2023                 0.6304
  Dep-U Fr= 1--      0.6263                 0.3365                 0.7733
 Alpha2 Fr= 1--      0.0046                 0.0230                 0.0069
 Beta2  Fr= 1--      0.0795                 0.0956                 0.4075
 AlphaG Fr= 1--      0.0166                -0.0617                 0.0216
 Gamma2 Fr= 1--      0.1881                -0.1319                 0.6121
 Delta2 Fr= 1--     -0.0826                -0.1176                 0.1562
 Raman1 Fr= 1--       3.045                  6.822                 12.647
 ROA1   Fr= 1--      15.417                -16.430                 63.761
 CID1   Fr= 1--       5.063                 -2.408                  5.042
 Raman2 Fr= 1--       0.953                  1.148                  4.890
 ROA2   Fr= 1--       5.176                 -2.226                 13.441
 CID2   Fr= 1--       5.428                 -1.939                  2.749
 Raman3 Fr= 1--       1.907                  2.295                  9.780
 ROA3   Fr= 1--      15.417                -16.430                 63.761
 CID3   Fr= 1--       8.085                 -7.158                  6.520
 RC180  Fr= 1--       0.253                 -0.327                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.03    -0.01   0.01   0.27     0.17  -0.01   0.05
     2   6    -0.04   0.05  -0.09     0.00  -0.04   0.24     0.02   0.15   0.09
     3   6    -0.01   0.03  -0.12     0.16  -0.03  -0.06    -0.10  -0.14  -0.04
     4   6     0.00  -0.02   0.14     0.01  -0.07  -0.00    -0.06  -0.22  -0.03
     5   8    -0.01   0.04   0.01    -0.06  -0.05  -0.07     0.03  -0.10   0.03
     6   8    -0.05  -0.06   0.04    -0.08   0.06  -0.10     0.17  -0.04  -0.06
     7   8    -0.00   0.04   0.02    -0.06   0.05  -0.04    -0.06   0.28  -0.00
     8   1    -0.10   0.12  -0.09    -0.29  -0.23   0.22    -0.04   0.21   0.09
     9   1    -0.08   0.22   0.43    -0.08  -0.04   0.08     0.01  -0.14   0.01
    10   1     0.11  -0.37   0.28     0.00  -0.17   0.04    -0.06  -0.28  -0.01
    11   1     0.00   0.06   0.04    -0.07  -0.03  -0.01    -0.11   0.23  -0.18
    12   6     0.03  -0.12  -0.12    -0.07   0.01  -0.06    -0.01   0.00  -0.13
    13   6     0.11   0.04   0.06     0.22   0.05  -0.10    -0.16  -0.02   0.10
    14   1     0.05  -0.20  -0.11    -0.23   0.02  -0.30     0.05   0.15   0.03
    15   1     0.06  -0.15   0.05    -0.20   0.03  -0.07     0.01   0.04  -0.41
    16   1     0.03  -0.20  -0.26    -0.18   0.07   0.25     0.05   0.11  -0.10
    17   1     0.34   0.08   0.03     0.25   0.08  -0.11    -0.04   0.09   0.07
    18   1     0.02   0.02   0.22     0.26   0.09  -0.11    -0.11   0.06   0.13
    19   1     0.09   0.03   0.17     0.16   0.06  -0.07    -0.32   0.00   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    562.8795               651.0688               721.8594
 Red. masses --      3.5193                 6.7744                 6.2981
 Frc consts  --      0.6570                 1.6919                 1.9336
 IR Inten    --      7.8879                 1.9480                 3.5348
 RamAct Fr= 1--      2.4980                 5.6651                13.2810
  Dep-P Fr= 1--      0.1313                 0.1561                 0.1043
  Dep-U Fr= 1--      0.2321                 0.2700                 0.1889
 Alpha2 Fr= 1--      0.0405                 0.0862                 0.2301
 Beta2  Fr= 1--      0.0966                 0.2549                 0.4182
 AlphaG Fr= 1--      0.0450                -0.0104                 0.0990
 Gamma2 Fr= 1--     -0.3286                 0.1449                -0.4630
 Delta2 Fr= 1--      0.1761                 0.2334                -0.2756
 Raman1 Fr= 1--       9.992                 22.660                 53.124
 ROA1   Fr= 1--     -25.915                 21.380                -53.265
 CID1   Fr= 1--      -2.594                  0.944                 -1.003
 Raman2 Fr= 1--       1.160                  3.059                  5.019
 ROA2   Fr= 1--      -9.296                  1.611                 -8.907
 CID2   Fr= 1--      -8.016                  0.527                 -1.775
 Raman3 Fr= 1--       2.319                  6.118                 10.037
 ROA3   Fr= 1--     -25.915                 21.380                -53.265
 CID3   Fr= 1--     -11.173                  3.494                 -5.307
 RC180  Fr= 1--      -0.536                 -0.460                 -0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.08   0.13     0.04   0.23   0.15    -0.25  -0.05  -0.20
     2   6    -0.14  -0.06   0.05    -0.02  -0.08   0.06    -0.15   0.01  -0.03
     3   6    -0.13   0.12  -0.06    -0.02  -0.19   0.00     0.05  -0.17   0.04
     4   6     0.13   0.10   0.00     0.14  -0.04  -0.03     0.30  -0.17  -0.05
     5   8     0.07  -0.13  -0.03     0.23   0.36  -0.09     0.15  -0.07   0.05
     6   8     0.04   0.18  -0.09    -0.10  -0.03  -0.03    -0.19   0.20   0.08
     7   8     0.06  -0.04  -0.01    -0.05  -0.16  -0.02    -0.01   0.15   0.02
     8   1    -0.37  -0.16   0.04    -0.13  -0.26   0.05     0.05   0.21  -0.01
     9   1     0.27   0.24   0.06    -0.05  -0.07   0.07     0.25  -0.22  -0.06
    10   1     0.20   0.08   0.03     0.18  -0.14   0.01     0.27  -0.16  -0.06
    11   1     0.11   0.08   0.22    -0.06  -0.20  -0.06    -0.00   0.31  -0.05
    12   6    -0.00  -0.02  -0.07    -0.02  -0.04  -0.11     0.02  -0.02   0.07
    13   6    -0.10  -0.04   0.07    -0.17  -0.07   0.10     0.05  -0.02  -0.02
    14   1     0.09  -0.09   0.03     0.00   0.12  -0.02    -0.02   0.13   0.07
    15   1     0.10  -0.06   0.07    -0.02   0.01  -0.41    -0.03   0.04  -0.19
    16   1     0.04  -0.14  -0.32     0.02   0.09   0.00     0.02   0.13   0.29
    17   1     0.04  -0.15   0.08    -0.15  -0.00   0.09    -0.00   0.02  -0.03
    18   1    -0.28  -0.16   0.28    -0.11  -0.00   0.07     0.15   0.04  -0.12
    19   1     0.08  -0.09   0.02    -0.29  -0.05   0.19    -0.05  -0.00   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    808.8596               894.6888               914.4906
 Red. masses --      3.3019                 4.3023                 2.2306
 Frc consts  --      1.2728                 2.0291                 1.0991
 IR Inten    --      0.8868                 2.9773                 9.3222
 RamAct Fr= 1--      8.9600                 1.7573                 2.2603
  Dep-P Fr= 1--      0.1156                 0.2405                 0.4419
  Dep-U Fr= 1--      0.2072                 0.3878                 0.6129
 Alpha2 Fr= 1--      0.1510                 0.0214                 0.0143
 Beta2  Fr= 1--      0.3094                 0.1136                 0.2309
 AlphaG Fr= 1--     -0.0717                 0.0122                -0.0353
 Gamma2 Fr= 1--     -0.1632                -0.2975                 1.0854
 Delta2 Fr= 1--      0.4421                -0.4115                 0.3376
 Raman1 Fr= 1--      35.840                  7.029                  9.041
 ROA1   Fr= 1--      -1.516                -41.732                114.999
 CID1   Fr= 1--      -0.042                 -5.937                 12.720
 Raman2 Fr= 1--       3.713                  1.363                  2.771
 ROA2   Fr= 1--      -7.452                 -3.849                 23.348
 CID2   Fr= 1--      -2.007                 -2.824                  8.427
 Raman3 Fr= 1--       7.426                  2.726                  5.541
 ROA3   Fr= 1--      -1.516                -41.732                114.999
 CID3   Fr= 1--      -0.204                -15.309                 20.753
 RC180  Fr= 1--      -0.586                 -0.224                  0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.05   0.11     0.02  -0.04  -0.28    -0.04   0.03   0.01
     2   6    -0.16   0.02  -0.16    -0.19  -0.10   0.30     0.17   0.01   0.05
     3   6    -0.06   0.02  -0.07    -0.04   0.05  -0.00    -0.01   0.13  -0.04
     4   6    -0.03  -0.17  -0.07    -0.10  -0.05  -0.02     0.03  -0.15  -0.12
     5   8     0.03   0.05  -0.02     0.07   0.12   0.03    -0.01  -0.02   0.03
     6   8     0.05  -0.01  -0.05     0.13  -0.01   0.03    -0.08   0.01   0.02
     7   8     0.00  -0.02   0.02     0.02  -0.03  -0.04     0.00  -0.02  -0.01
     8   1    -0.48   0.02  -0.18    -0.06  -0.20   0.30     0.32   0.01   0.05
     9   1    -0.10  -0.13   0.02    -0.21  -0.02   0.06     0.02   0.10   0.14
    10   1    -0.06  -0.33  -0.03    -0.10  -0.18   0.02     0.02  -0.49  -0.01
    11   1     0.04   0.14   0.10     0.08   0.34   0.03    -0.04  -0.24  -0.05
    12   6     0.01   0.06   0.26     0.00  -0.00  -0.01    -0.00   0.04   0.01
    13   6     0.06   0.02  -0.06     0.04   0.07  -0.06    -0.07   0.07   0.03
    14   1     0.11   0.04   0.41    -0.05   0.02  -0.08     0.00  -0.03  -0.02
    15   1     0.12   0.03   0.31    -0.04   0.01  -0.02     0.03   0.01   0.16
    16   1     0.06   0.00   0.07    -0.02   0.02   0.07    -0.01  -0.04  -0.08
    17   1     0.15   0.00  -0.06     0.27  -0.09  -0.06    -0.06  -0.19   0.07
    18   1    -0.01  -0.03   0.02    -0.24  -0.15   0.22    -0.36  -0.21   0.19
    19   1     0.15   0.00  -0.06     0.37  -0.02  -0.09     0.36  -0.02  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    950.3410               969.4609              1007.1773
 Red. masses --      1.6842                 1.3779                 2.0948
 Frc consts  --      0.8962                 0.7630                 1.2520
 IR Inten    --      0.2404                 0.6954                17.7927
 RamAct Fr= 1--      3.8497                 1.5361                 1.7590
  Dep-P Fr= 1--      0.6529                 0.7484                 0.7480
  Dep-U Fr= 1--      0.7900                 0.8561                 0.8559
 Alpha2 Fr= 1--      0.0067                 0.0000                 0.0001
 Beta2  Fr= 1--      0.5069                 0.2192                 0.2509
 AlphaG Fr= 1--     -0.0043                -0.0003                 0.0006
 Gamma2 Fr= 1--     -0.5027                 0.0187                -1.1841
 Delta2 Fr= 1--     -0.6897                 0.0333                -0.3572
 Raman1 Fr= 1--      15.399                  6.144                  7.036
 ROA1   Fr= 1--     -70.329                  2.855               -125.098
 CID1   Fr= 1--      -4.567                  0.465                -17.780
 Raman2 Fr= 1--       6.082                  2.630                  3.011
 ROA2   Fr= 1--      -6.547                  0.182                -25.560
 CID2   Fr= 1--      -1.076                  0.069                 -8.489
 Raman3 Fr= 1--      12.165                  5.260                  6.022
 ROA3   Fr= 1--     -70.329                  2.855               -125.098
 CID3   Fr= 1--      -5.781                  0.543                -20.774
 RC180  Fr= 1--       0.580                  0.712                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.00  -0.01   0.00    -0.04   0.01  -0.00
     2   6     0.05   0.00   0.04     0.01   0.00   0.01     0.10  -0.01   0.05
     3   6    -0.03  -0.06  -0.10    -0.07  -0.02   0.04    -0.10  -0.02  -0.01
     4   6    -0.03   0.12  -0.08    -0.01   0.03  -0.03    -0.10  -0.03   0.07
     5   8     0.01  -0.01   0.02     0.00  -0.00   0.01     0.14  -0.03  -0.02
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.01
     7   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
     8   1     0.06   0.01   0.03     0.05  -0.01   0.02     0.17   0.00   0.06
     9   1     0.10   0.53   0.25     0.02   0.20   0.11     0.02  -0.15  -0.12
    10   1     0.03  -0.31   0.08     0.03  -0.14   0.03    -0.02   0.22  -0.01
    11   1    -0.01  -0.08  -0.03     0.00  -0.01  -0.00    -0.03  -0.18  -0.04
    12   6     0.03  -0.03   0.11    -0.10  -0.06  -0.01    -0.08   0.07   0.01
    13   6    -0.04  -0.05  -0.05     0.10   0.04   0.01     0.04  -0.03  -0.10
    14   1    -0.03   0.14   0.10     0.16   0.18   0.50     0.13  -0.10   0.27
    15   1    -0.08   0.04  -0.16     0.12  -0.03  -0.44     0.17  -0.02   0.26
    16   1     0.03   0.14   0.34     0.14   0.09  -0.27     0.00  -0.15  -0.48
    17   1     0.30   0.13  -0.12    -0.26  -0.09   0.07     0.38   0.18  -0.17
    18   1    -0.02   0.08   0.13     0.17  -0.01  -0.24     0.07   0.11   0.08
    19   1    -0.24  -0.03   0.24     0.17   0.05  -0.26    -0.17  -0.01   0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.5317              1049.4553              1130.4699
 Red. masses --      3.3424                 1.5872                 3.9577
 Frc consts  --      2.0751                 1.0299                 2.9800
 IR Inten    --     74.3845                14.1897               252.7943
 RamAct Fr= 1--      1.6072                 0.6395                 2.4897
  Dep-P Fr= 1--      0.7224                 0.7274                 0.3864
  Dep-U Fr= 1--      0.8388                 0.8422                 0.5574
 Alpha2 Fr= 1--      0.0008                 0.0002                 0.0194
 Beta2  Fr= 1--      0.2247                 0.0898                 0.2313
 AlphaG Fr= 1--      0.0076                 0.0009                -0.0363
 Gamma2 Fr= 1--      1.5976                -0.3412                -0.1648
 Delta2 Fr= 1--      0.0560                 0.1293                 0.5367
 Raman1 Fr= 1--       6.429                  2.558                  9.959
 ROA1   Fr= 1--     155.164                -28.617                  1.352
 CID1   Fr= 1--      24.136                -11.187                  0.136
 Raman2 Fr= 1--       2.696                  1.077                  2.775
 ROA2   Fr= 1--      37.896                 -9.223                 -8.249
 CID2   Fr= 1--      14.055                 -8.562                 -2.972
 Raman3 Fr= 1--       5.393                  2.154                  5.551
 ROA3   Fr= 1--     155.164                -28.617                  1.352
 CID3   Fr= 1--      28.774                -13.283                  0.244
 RC180  Fr= 1--       0.678                  0.684                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.06  -0.03     0.00  -0.02  -0.05     0.04   0.24  -0.03
     2   6     0.02  -0.02   0.05    -0.01  -0.02   0.06    -0.07   0.27   0.09
     3   6    -0.09  -0.05  -0.01     0.03   0.01  -0.03    -0.07   0.03   0.05
     4   6     0.28  -0.01   0.04     0.06  -0.01  -0.09    -0.01  -0.08   0.00
     5   8    -0.24   0.06   0.02    -0.06   0.04   0.03    -0.01  -0.13   0.02
     6   8     0.03  -0.06   0.00     0.02  -0.01   0.01    -0.02  -0.02   0.00
     7   8    -0.00   0.01  -0.00     0.00   0.00  -0.01    -0.01  -0.22  -0.08
     8   1     0.06  -0.01   0.05    -0.15  -0.03   0.05     0.24   0.23   0.09
     9   1     0.27  -0.20  -0.15     0.00   0.16   0.11     0.49   0.17  -0.04
    10   1     0.09   0.27  -0.08     0.05  -0.25  -0.00     0.09   0.00  -0.01
    11   1    -0.03  -0.10  -0.05     0.00   0.02  -0.01     0.13   0.42   0.11
    12   6    -0.07  -0.00   0.03    -0.03   0.10  -0.01     0.03  -0.01  -0.03
    13   6    -0.01   0.01  -0.12     0.02  -0.09   0.06     0.05  -0.04  -0.01
    14   1     0.09   0.04   0.29     0.05  -0.18  -0.01    -0.05  -0.01  -0.15
    15   1     0.10  -0.02  -0.09     0.13   0.00   0.42    -0.06   0.01   0.01
    16   1     0.05  -0.01  -0.21    -0.05  -0.17  -0.34    -0.03   0.02   0.14
    17   1     0.48   0.06  -0.17    -0.26   0.12   0.05     0.03   0.10  -0.03
    18   1    -0.21  -0.04   0.27     0.35   0.17  -0.25     0.21   0.12  -0.10
    19   1     0.06  -0.05   0.16    -0.37   0.02   0.07    -0.12   0.01   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1180.5115              1192.6554              1226.0178
 Red. masses --      1.8675                 2.5416                 1.5189
 Frc consts  --      1.5334                 2.1300                 1.3452
 IR Inten    --     15.7494                19.9778                22.9007
 RamAct Fr= 1--      4.6738                 2.8509                 1.1966
  Dep-P Fr= 1--      0.7466                 0.7182                 0.7435
  Dep-U Fr= 1--      0.8549                 0.8360                 0.8529
 Alpha2 Fr= 1--      0.0003                 0.0016                 0.0001
 Beta2  Fr= 1--      0.6659                 0.3972                 0.1701
 AlphaG Fr= 1--      0.0076                -0.0053                 0.0017
 Gamma2 Fr= 1--     -0.2330                 0.1232                 0.4669
 Delta2 Fr= 1--     -0.2468                -0.0342                -0.0264
 Raman1 Fr= 1--      18.695                 11.404                  4.786
 ROA1   Fr= 1--     -30.266                 10.728                 43.974
 CID1   Fr= 1--      -1.619                  0.941                  9.187
 Raman2 Fr= 1--       7.991                  4.767                  2.041
 ROA2   Fr= 1--      -3.618                  3.229                 11.415
 CID2   Fr= 1--      -0.453                  0.677                  5.593
 Raman3 Fr= 1--      15.983                  9.533                  4.082
 ROA3   Fr= 1--     -30.266                 10.728                 43.974
 CID3   Fr= 1--      -1.894                  1.125                 10.772
 RC180  Fr= 1--       0.710                  0.672                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.14   0.10     0.03   0.18   0.01     0.00   0.03  -0.02
     2   6    -0.05   0.05  -0.04    -0.04  -0.17  -0.09     0.02   0.08   0.02
     3   6    -0.05   0.06   0.12    -0.05  -0.09   0.13     0.09  -0.10  -0.00
     4   6     0.03  -0.01  -0.07    -0.04   0.03  -0.09    -0.01   0.06  -0.05
     5   8    -0.01   0.06   0.01    -0.00  -0.06   0.03    -0.00  -0.05   0.05
     6   8     0.01   0.01  -0.02     0.01  -0.02  -0.01    -0.00  -0.00   0.00
     7   8     0.00  -0.03  -0.01    -0.03   0.09   0.06     0.00  -0.04  -0.02
     8   1     0.59   0.18   0.00     0.33  -0.46  -0.05    -0.37   0.21  -0.00
     9   1    -0.52  -0.13   0.13     0.10   0.35   0.15    -0.54  -0.09   0.11
    10   1     0.25  -0.12   0.00     0.42  -0.02   0.02     0.56   0.14   0.03
    11   1     0.05   0.19   0.05     0.00   0.20   0.11     0.00  -0.03  -0.03
    12   6     0.00  -0.01  -0.04     0.03   0.05  -0.04    -0.03   0.03   0.00
    13   6     0.01  -0.04  -0.06     0.03   0.03  -0.04    -0.04   0.04  -0.01
    14   1    -0.02   0.01  -0.07    -0.02  -0.14  -0.20     0.05  -0.07   0.09
    15   1    -0.04  -0.00  -0.04    -0.02   0.02   0.18     0.10  -0.01   0.05
    16   1    -0.01  -0.01  -0.01    -0.09  -0.13  -0.05    -0.00  -0.04  -0.14
    17   1     0.22   0.12  -0.11     0.13  -0.04  -0.04     0.04  -0.10   0.01
    18   1     0.07   0.10   0.05    -0.03  -0.02   0.01    -0.17  -0.09   0.09
    19   1    -0.09  -0.03   0.12     0.15  -0.00  -0.02     0.13  -0.01   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1246.3210              1259.2052              1312.8070
 Red. masses --      1.6359                 2.3023                 1.9000
 Frc consts  --      1.4971                 2.1509                 1.9293
 IR Inten    --      5.9440                41.7650                 8.5763
 RamAct Fr= 1--      3.3463                 5.3376                 4.9616
  Dep-P Fr= 1--      0.6900                 0.6411                 0.7180
  Dep-U Fr= 1--      0.8166                 0.7813                 0.8359
 Alpha2 Fr= 1--      0.0035                 0.0105                 0.0027
 Beta2  Fr= 1--      0.4554                 0.6950                 0.6912
 AlphaG Fr= 1--     -0.0033                 0.0006                -0.0137
 Gamma2 Fr= 1--     -0.9285                -2.0621                 2.0163
 Delta2 Fr= 1--     -0.7008                -0.9932                 0.9377
 Raman1 Fr= 1--      13.385                 21.350                 19.846
 ROA1   Fr= 1--    -111.563               -229.740                223.573
 CID1   Fr= 1--      -8.335                -10.761                 11.265
 Raman2 Fr= 1--       5.465                  8.340                  8.295
 ROA2   Fr= 1--     -16.678                -41.544                 40.890
 CID2   Fr= 1--      -3.052                 -4.981                  4.930
 Raman3 Fr= 1--      10.930                 16.681                 16.589
 ROA3   Fr= 1--    -111.563               -229.740                223.573
 CID3   Fr= 1--     -10.207                -13.773                 13.477
 RC180  Fr= 1--       0.633                  0.563                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05     0.01   0.07  -0.02    -0.01  -0.06  -0.02
     2   6     0.04  -0.00  -0.01    -0.01  -0.05  -0.03    -0.01   0.10  -0.03
     3   6    -0.07   0.16   0.05     0.25   0.13   0.02     0.04  -0.05   0.22
     4   6    -0.00  -0.06  -0.03    -0.02  -0.01  -0.00     0.00   0.01  -0.03
     5   8     0.00  -0.02   0.03     0.00  -0.04  -0.00     0.01   0.01  -0.02
     6   8    -0.01  -0.01   0.01    -0.01  -0.00   0.00    -0.00   0.01   0.00
     7   8     0.02   0.02   0.02    -0.04  -0.00   0.02     0.02  -0.01   0.00
     8   1    -0.48  -0.38  -0.03     0.07  -0.21  -0.02    -0.47  -0.14  -0.06
     9   1    -0.19  -0.11   0.03    -0.03  -0.05  -0.03     0.24   0.20   0.03
    10   1     0.38   0.12  -0.02    -0.16  -0.14   0.01    -0.45  -0.34   0.02
    11   1    -0.06  -0.35  -0.07     0.08   0.51   0.16    -0.04  -0.29  -0.08
    12   6     0.03  -0.07  -0.01    -0.10  -0.05   0.01    -0.01   0.02  -0.05
    13   6     0.02  -0.06  -0.01    -0.08  -0.06  -0.03    -0.02   0.02  -0.07
    14   1    -0.07   0.15  -0.06     0.06   0.10   0.30     0.00  -0.11  -0.09
    15   1    -0.11  -0.00  -0.21     0.19  -0.05  -0.26     0.05  -0.00  -0.01
    16   1     0.05   0.10   0.15     0.15   0.13  -0.25    -0.03  -0.08  -0.15
    17   1     0.03   0.18  -0.05     0.09   0.08  -0.06     0.21  -0.03  -0.07
    18   1     0.15   0.13  -0.01    -0.09   0.07   0.21    -0.06   0.06   0.13
    19   1    -0.17  -0.01   0.05    -0.19  -0.06   0.25     0.15  -0.05   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1367.0538              1394.9468              1399.9303
 Red. masses --      1.3478                 1.6177                 1.4516
 Frc consts  --      1.4840                 1.8546                 1.6761
 IR Inten    --      4.2964                 6.5224                13.0925
 RamAct Fr= 1--      2.7385                 2.3395                 0.9601
  Dep-P Fr= 1--      0.5632                 0.4210                 0.7486
  Dep-U Fr= 1--      0.7205                 0.5925                 0.8563
 Alpha2 Fr= 1--      0.0097                 0.0161                 0.0000
 Beta2  Fr= 1--      0.3289                 0.2310                 0.1370
 AlphaG Fr= 1--      0.0263                 0.0123                -0.0021
 Gamma2 Fr= 1--      1.7841                -0.7731                 0.7970
 Delta2 Fr= 1--      0.8622                 0.0440                 0.3987
 Raman1 Fr= 1--      10.954                  9.358                  3.840
 ROA1   Fr= 1--     198.865                -72.809                 89.268
 CID1   Fr= 1--      18.155                 -7.780                 23.245
 Raman2 Fr= 1--       3.946                  2.772                  1.644
 ROA2   Fr= 1--      35.921                -18.907                 15.937
 CID2   Fr= 1--       9.102                 -6.820                  9.693
 Raman3 Fr= 1--       7.893                  5.545                  3.288
 ROA3   Fr= 1--     198.865                -72.809                 89.268
 CID3   Fr= 1--      25.196                -13.131                 27.147
 RC180  Fr= 1--       0.441                  0.185                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.03  -0.13   0.01    -0.00   0.02  -0.01
     2   6     0.04  -0.12   0.00     0.11   0.08  -0.02     0.12  -0.03  -0.00
     3   6     0.01   0.04   0.06    -0.00  -0.04  -0.02    -0.09  -0.01   0.01
     4   6    -0.05  -0.06  -0.01    -0.04  -0.07   0.00     0.05   0.05   0.00
     5   8    -0.01   0.04  -0.00    -0.02   0.08  -0.00     0.01  -0.02  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     7   8    -0.01   0.00  -0.02    -0.04  -0.02   0.01    -0.04  -0.02  -0.00
     8   1    -0.28   0.78  -0.01    -0.15  -0.50  -0.03    -0.27   0.01  -0.02
     9   1     0.33   0.23   0.05     0.32   0.19   0.04    -0.25  -0.17  -0.03
    10   1     0.22   0.17  -0.04     0.32   0.28  -0.04    -0.25  -0.18   0.02
    11   1     0.02   0.11   0.00     0.08   0.52   0.16     0.07   0.51   0.14
    12   6     0.01  -0.01  -0.00    -0.01   0.00  -0.02     0.04   0.02   0.07
    13   6    -0.01  -0.01  -0.02    -0.02   0.02   0.01     0.01   0.00   0.00
    14   1    -0.03   0.03  -0.05     0.05   0.01   0.08    -0.16  -0.08  -0.30
    15   1    -0.04   0.01  -0.08     0.04  -0.03   0.13    -0.17   0.11  -0.33
    16   1     0.02  -0.02  -0.04    -0.01   0.06   0.09    -0.01  -0.25  -0.25
    17   1     0.04   0.04  -0.02     0.06  -0.02   0.00     0.05   0.03  -0.01
    18   1     0.02   0.06   0.05    -0.01  -0.01  -0.04     0.03  -0.00  -0.06
    19   1     0.03  -0.02   0.03     0.08  -0.00  -0.05     0.03   0.01  -0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1411.4127              1435.8153              1485.5882
 Red. masses --      1.3183                 1.2793                 1.0451
 Frc consts  --      1.5473                 1.5539                 1.3590
 IR Inten    --      9.8421                 9.1322                 0.5286
 RamAct Fr= 1--      0.3725                 0.3964                 5.6163
  Dep-P Fr= 1--      0.2874                 0.7430                 0.7469
  Dep-U Fr= 1--      0.4464                 0.8525                 0.8551
 Alpha2 Fr= 1--      0.0040                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0277                 0.0563                 0.8005
 AlphaG Fr= 1--     -0.0105                 0.0019                 0.0037
 Gamma2 Fr= 1--      0.0605                -0.1041                 0.3906
 Delta2 Fr= 1--      0.0033                -0.1450                -0.0442
 Raman1 Fr= 1--       1.490                  1.586                 22.465
 ROA1   Fr= 1--       5.914                -14.633                 36.086
 CID1   Fr= 1--       3.969                 -9.229                  1.606
 Raman2 Fr= 1--       0.333                  0.676                  9.605
 ROA2   Fr= 1--       1.426                 -1.338                  9.728
 CID2   Fr= 1--       4.288                 -1.979                  1.013
 Raman3 Fr= 1--       0.665                  1.352                 19.211
 ROA3   Fr= 1--       5.914                -14.633                 36.086
 CID3   Fr= 1--       8.891                -10.826                  1.878
 RC180  Fr= 1--      -0.107                  0.705                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
     2   6    -0.05   0.02   0.01     0.05  -0.04  -0.00    -0.00   0.00  -0.00
     3   6     0.05   0.00  -0.03    -0.03   0.00   0.01     0.01  -0.00  -0.01
     4   6    -0.02  -0.02   0.01     0.04   0.03  -0.00    -0.01   0.01   0.00
     5   8    -0.01   0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.14  -0.07   0.02    -0.15   0.13  -0.01     0.01  -0.01  -0.00
     9   1     0.09   0.05   0.00    -0.20  -0.07   0.03     0.03  -0.03  -0.05
    10   1     0.11   0.09  -0.01    -0.22  -0.10  -0.00     0.04  -0.03   0.03
    11   1    -0.03  -0.18  -0.05     0.02   0.17   0.04    -0.00   0.00  -0.00
    12   6    -0.00   0.01   0.07    -0.01  -0.02  -0.10     0.00   0.04  -0.01
    13   6    -0.11  -0.03   0.06    -0.06  -0.02   0.03     0.00  -0.04  -0.00
    14   1    -0.12  -0.09  -0.19     0.18   0.13   0.29     0.23  -0.37   0.17
    15   1     0.04   0.05  -0.26     0.03  -0.10   0.41     0.03   0.05  -0.24
    16   1     0.07  -0.08  -0.24    -0.06   0.20   0.35    -0.29  -0.23   0.23
    17   1     0.44   0.14  -0.04     0.30   0.11  -0.04    -0.24   0.44  -0.06
    18   1     0.28   0.23  -0.32     0.20   0.18  -0.20    -0.02   0.19   0.39
    19   1     0.38  -0.10  -0.28     0.27  -0.07  -0.19     0.16  -0.04  -0.24
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.4236              1507.4508              1512.0477
 Red. masses --      1.0512                 1.0588                 1.0620
 Frc consts  --      1.3813                 1.4176                 1.4305
 IR Inten    --      3.3729                10.8047                11.3274
 RamAct Fr= 1--      2.1242                 5.3082                 2.0338
  Dep-P Fr= 1--      0.6046                 0.7420                 0.7496
  Dep-U Fr= 1--      0.7536                 0.8519                 0.8569
 Alpha2 Fr= 1--      0.0057                 0.0007                 0.0000
 Beta2  Fr= 1--      0.2668                 0.7536                 0.2904
 AlphaG Fr= 1--     -0.0060                -0.0015                 0.0003
 Gamma2 Fr= 1--     -0.9362                 0.3195                -0.1357
 Delta2 Fr= 1--     -0.2184                 0.4289                -0.2386
 Raman1 Fr= 1--       8.497                 21.233                  8.135
 ROA1   Fr= 1--     -96.864                 44.401                -20.661
 CID1   Fr= 1--     -11.400                  2.091                 -2.540
 Raman2 Fr= 1--       3.202                  9.044                  3.485
 ROA2   Fr= 1--     -20.722                  4.237                 -1.348
 CID2   Fr= 1--      -6.472                  0.469                 -0.387
 Raman3 Fr= 1--       6.403                 18.087                  6.971
 ROA3   Fr= 1--     -96.864                 44.401                -20.661
 CID3   Fr= 1--     -15.128                  2.455                 -2.964
 RC180  Fr= 1--       0.507                  0.704                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     3   6    -0.02  -0.01   0.02    -0.02  -0.04  -0.02    -0.04   0.02  -0.02
     4   6     0.01  -0.00  -0.00     0.01   0.01   0.00    -0.00   0.01   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.03   0.04  -0.01     0.02  -0.02  -0.00    -0.01   0.03   0.00
     9   1    -0.05   0.06   0.09    -0.03   0.01   0.02    -0.00  -0.07  -0.07
    10   1    -0.09   0.05  -0.04    -0.03   0.02  -0.01     0.05  -0.06   0.03
    11   1     0.00   0.01   0.00     0.00   0.02   0.01     0.00   0.02   0.00
    12   6    -0.04  -0.00   0.01    -0.01  -0.02   0.02    -0.03   0.02   0.01
    13   6     0.03  -0.01   0.03     0.00  -0.02  -0.03    -0.01   0.02  -0.02
    14   1    -0.11  -0.22  -0.24    -0.23   0.24  -0.23     0.04  -0.44  -0.12
    15   1     0.48  -0.10  -0.01     0.10  -0.07   0.21     0.47  -0.05  -0.18
    16   1     0.19   0.34   0.06     0.29   0.27  -0.19    -0.01   0.18   0.25
    17   1     0.13   0.30  -0.05    -0.36   0.17  -0.01    -0.07  -0.37   0.06
    18   1    -0.19  -0.28   0.01     0.10   0.35   0.38     0.17   0.18  -0.12
    19   1    -0.25   0.12  -0.39     0.34  -0.11   0.06     0.15  -0.08   0.40
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1521.5020              1846.4378              2947.3073
 Red. masses --      1.0887                12.7879                 1.0798
 Frc consts  --      1.4850                25.6874                 5.5266
 IR Inten    --      3.8991               396.9483                32.7322
 RamAct Fr= 1--      5.6223                22.1822                97.8610
  Dep-P Fr= 1--      0.7009                 0.2552                 0.1934
  Dep-U Fr= 1--      0.8241                 0.4066                 0.3242
 Alpha2 Fr= 1--      0.0048                 0.2591                 1.3522
 Beta2  Fr= 1--      0.7723                 1.5031                 5.2874
 AlphaG Fr= 1--      0.0187                -0.2578                -0.5571
 Gamma2 Fr= 1--      0.9530                -1.8566                -2.3715
 Delta2 Fr= 1--     -0.1474                 0.0016                -0.5172
 Raman1 Fr= 1--      22.489                 88.729                391.444
 ROA1   Fr= 1--      86.775               -178.185               -244.214
 CID1   Fr= 1--       3.859                 -2.008                 -0.624
 Raman2 Fr= 1--       9.267                 18.037                 63.449
 ROA2   Fr= 1--      24.052                -44.572                -52.778
 CID2   Fr= 1--       2.595                 -2.471                 -0.832
 Raman3 Fr= 1--      18.534                 36.075                126.899
 ROA3   Fr= 1--      86.775               -178.185               -244.214
 CID3   Fr= 1--       4.682                 -4.939                 -1.924
 RC180  Fr= 1--       0.648                 -0.187                 -0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.80  -0.19  -0.15     0.00   0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.05  -0.03   0.01     0.00   0.00  -0.08
     3   6     0.00   0.00  -0.01    -0.02  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.04  -0.07  -0.02    -0.05   0.02  -0.00    -0.00   0.00   0.00
     5   8     0.01  -0.01  -0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
     6   8    -0.01   0.00   0.00    -0.50   0.13   0.09    -0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     8   1     0.02  -0.03  -0.00    -0.01   0.01   0.00    -0.06   0.00   0.99
     9   1    -0.27   0.32   0.53     0.00   0.04  -0.05     0.00  -0.00   0.00
    10   1    -0.38   0.51  -0.27     0.08  -0.00   0.04     0.00  -0.00  -0.02
    11   1    -0.00  -0.01  -0.00    -0.00   0.12   0.01     0.01  -0.00  -0.01
    12   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.04  -0.08   0.03     0.00  -0.02  -0.01    -0.00  -0.00   0.00
    15   1    -0.02   0.02  -0.08     0.02  -0.01   0.01     0.00   0.00   0.00
    16   1    -0.07  -0.08   0.03    -0.00   0.01   0.02     0.01  -0.01   0.00
    17   1    -0.06  -0.07   0.01    -0.00  -0.00   0.00    -0.01  -0.00  -0.03
    18   1     0.03   0.05   0.02     0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.04  -0.02   0.10     0.02  -0.00  -0.01     0.00   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3030.2103              3040.7838              3050.0035
 Red. masses --      1.0357                 1.0375                 1.0636
 Frc consts  --      5.6032                 5.6523                 5.8296
 IR Inten    --     19.2854                15.7264                38.7637
 RamAct Fr= 1--     96.6052               153.2634               223.2150
  Dep-P Fr= 1--      0.0127                 0.0211                 0.0513
  Dep-U Fr= 1--      0.0251                 0.0414                 0.0976
 Alpha2 Fr= 1--      2.0838                 3.2415                 4.3957
 Beta2  Fr= 1--      0.4046                 1.0568                 3.6300
 AlphaG Fr= 1--     -0.1737                -0.4820                 1.1608
 Gamma2 Fr= 1--      0.8312                -1.3678                 4.9053
 Delta2 Fr= 1--      0.0986                -0.7729                -4.2059
 Raman1 Fr= 1--     386.421                613.054                892.860
 ROA1   Fr= 1--      82.947               -156.044                336.325
 CID1   Fr= 1--       0.215                 -0.255                  0.377
 Raman2 Fr= 1--       4.855                 12.681                 43.560
 ROA2   Fr= 1--      19.159                -26.644                151.375
 CID2   Fr= 1--       3.946                 -2.101                  3.475
 Raman3 Fr= 1--       9.711                 25.363                 87.121
 ROA3   Fr= 1--      82.947               -156.044                336.325
 CID3   Fr= 1--       8.542                 -6.152                  3.860
 RC180  Fr= 1--      -0.950                 -0.917                 -0.805
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01    -0.00   0.01   0.01     0.02  -0.04  -0.05
     5   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00  -0.00   0.02     0.00  -0.00   0.01    -0.00  -0.00   0.02
     9   1     0.02  -0.02   0.03     0.03  -0.05   0.06    -0.13   0.22  -0.24
    10   1     0.02  -0.03  -0.10     0.03  -0.04  -0.15    -0.15   0.27   0.85
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.01     0.00  -0.01   0.05    -0.00  -0.00   0.01
    13   6     0.04  -0.00  -0.03     0.01   0.00  -0.01     0.01   0.00  -0.00
    14   1    -0.09  -0.03   0.05     0.51   0.15  -0.31     0.09   0.03  -0.05
    15   1     0.01   0.08   0.01    -0.07  -0.39  -0.05    -0.01  -0.06  -0.01
    16   1     0.10  -0.07   0.04    -0.49   0.34  -0.22    -0.07   0.05  -0.03
    17   1     0.08   0.10   0.58     0.01   0.02   0.11     0.01   0.01   0.06
    18   1    -0.46   0.35  -0.22    -0.07   0.05  -0.03    -0.08   0.06  -0.04
    19   1    -0.11  -0.45  -0.06    -0.02  -0.07  -0.01    -0.02  -0.09  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3090.1686              3099.1547              3103.8952
 Red. masses --      1.1018                 1.1021                 1.1013
 Frc consts  --      6.1992                 6.2369                 6.2514
 IR Inten    --     21.6981                26.7790                15.3657
 RamAct Fr= 1--     57.4040                61.4168                55.1514
  Dep-P Fr= 1--      0.7488                 0.7429                 0.7477
  Dep-U Fr= 1--      0.8564                 0.8525                 0.8556
 Alpha2 Fr= 1--      0.0011                 0.0074                 0.0022
 Beta2  Fr= 1--      8.1934                 8.7261                 7.8647
 AlphaG Fr= 1--      0.0044                 0.0109                 0.0001
 Gamma2 Fr= 1--     -0.5244                -6.7581                -7.2411
 Delta2 Fr= 1--     -0.6989                -1.3819                -6.6298
 Raman1 Fr= 1--     229.616                245.667                220.605
 ROA1   Fr= 1--     -72.707               -692.995               -907.301
 CID1   Fr= 1--      -0.317                 -2.821                 -4.113
 Raman2 Fr= 1--      98.320                104.713                 94.377
 ROA2   Fr= 1--      -6.994               -151.138               -120.748
 CID2   Fr= 1--      -0.071                 -1.443                 -1.279
 Raman3 Fr= 1--     196.640                209.427                188.754
 ROA3   Fr= 1--     -72.707               -692.995               -907.301
 CID3   Fr= 1--      -0.370                 -3.309                 -4.807
 RC180  Fr= 1--       0.713                  0.705                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00   0.02     0.00  -0.00  -0.00    -0.00  -0.00   0.01
     9   1    -0.02   0.03  -0.03    -0.01   0.02  -0.02    -0.03   0.05  -0.05
    10   1    -0.00   0.00   0.01     0.00  -0.01  -0.02     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.01  -0.00  -0.00    -0.09   0.01   0.01     0.01   0.01  -0.00
    13   6    -0.05   0.03  -0.07    -0.01  -0.00  -0.01    -0.01  -0.08  -0.03
    14   1    -0.09  -0.03   0.06     0.58   0.18  -0.37    -0.06  -0.02   0.04
    15   1     0.01   0.03   0.00    -0.02   0.01   0.00    -0.01  -0.07  -0.01
    16   1    -0.07   0.05  -0.03     0.51  -0.37   0.25    -0.02   0.02  -0.01
    17   1     0.07   0.13   0.65     0.01   0.02   0.12     0.05   0.05   0.40
    18   1     0.54  -0.41   0.23     0.07  -0.06   0.03    -0.20   0.13  -0.10
    19   1    -0.04  -0.10  -0.03     0.01   0.05   0.00     0.22   0.83   0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3120.5568              3127.0583              3723.3763
 Red. masses --      1.1028                 1.1000                 1.0656
 Frc consts  --      6.3270                 6.3375                 8.7043
 IR Inten    --     16.1869                14.2538                63.8405
 RamAct Fr= 1--     87.1426                65.5419                72.9997
  Dep-P Fr= 1--      0.4552                 0.7107                 0.1315
  Dep-U Fr= 1--      0.6256                 0.8309                 0.2324
 Alpha2 Fr= 1--      0.5231                 0.0446                 1.1823
 Beta2  Fr= 1--      9.0862                 9.0765                 2.8280
 AlphaG Fr= 1--     -0.1583                 0.0710                 0.5365
 Gamma2 Fr= 1--      3.9318                 9.0537                 3.5235
 Delta2 Fr= 1--      8.1654                 2.7648                 0.3967
 Raman1 Fr= 1--     348.570                262.168                291.999
 ROA1   Fr= 1--     638.742                957.626                350.949
 CID1   Fr= 1--       1.832                  3.653                  1.202
 Raman2 Fr= 1--     109.035                108.919                 33.935
 ROA2   Fr= 1--      29.040                195.170                 81.390
 CID2   Fr= 1--       0.266                  1.792                  2.398
 Raman3 Fr= 1--     218.070                217.837                 67.871
 ROA3   Fr= 1--     638.742                957.626                350.949
 CID3   Fr= 1--       2.929                  4.396                  5.171
 RC180  Fr= 1--       0.251                  0.662                 -0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02   0.04  -0.08     0.00  -0.01   0.01     0.00   0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.01   0.01
     8   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     9   1     0.35  -0.60   0.60    -0.06   0.11  -0.11    -0.00  -0.00   0.00
    10   1    -0.06   0.12   0.31     0.01  -0.02  -0.06    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.97  -0.16  -0.18
    12   6    -0.00  -0.02   0.00    -0.01  -0.09   0.01     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00   0.00
    14   1     0.05   0.01  -0.03     0.22   0.05  -0.13     0.00   0.00  -0.00
    15   1     0.03   0.16   0.03     0.17   0.87   0.13    -0.00  -0.00  -0.00
    16   1    -0.02   0.01  -0.00    -0.24   0.15  -0.11     0.00  -0.00   0.00
    17   1     0.01   0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01  -0.01   0.00    -0.03   0.02  -0.01     0.00  -0.00   0.00
    19   1     0.02   0.06   0.01     0.02   0.06   0.01    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   745.200861147.531651480.22458
           X            0.99957  -0.02938  -0.00076
           Y            0.02939   0.99953   0.00922
           Z            0.00049  -0.00924   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11623     0.07548     0.05851
 Rotational constants (GHZ):           2.42182     1.57272     1.21923
 Zero-point vibrational energy     415752.2 (Joules/Mol)
                                   99.36716 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    139.61   271.37   306.36   331.27   371.11
          (Kelvin)            375.10   431.24   495.37   515.65   554.60
                              736.86   788.34   809.86   936.74  1038.59
                             1163.77  1287.26  1315.75  1367.33  1394.84
                             1449.10  1476.95  1509.93  1626.49  1698.49
                             1715.97  1763.97  1793.18  1811.72  1888.84
                             1966.89  2007.02  2014.19  2030.71  2065.82
                             2137.43  2148.70  2168.89  2175.50  2189.10
                             2656.61  4240.52  4359.80  4375.01  4388.27
                             4446.06  4458.99  4465.81  4489.79  4499.14
                             5357.11
 
 Zero-point correction=                           0.158352 (Hartree/Particle)
 Thermal correction to Energy=                    0.167336
 Thermal correction to Enthalpy=                  0.168280
 Thermal correction to Gibbs Free Energy=         0.125241
 Sum of electronic and zero-point Energies=           -460.398965
 Sum of electronic and thermal Energies=              -460.389980
 Sum of electronic and thermal Enthalpies=            -460.389036
 Sum of electronic and thermal Free Energies=         -460.432075
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.005             34.185             90.583
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.628
 Vibrational            103.228             28.223             21.454
 Vibration     1          0.603              1.951              3.513
 Vibration     2          0.633              1.856              2.241
 Vibration     3          0.644              1.821              2.018
 Vibration     4          0.652              1.795              1.877
 Vibration     5          0.667              1.749              1.676
 Vibration     6          0.669              1.745              1.657
 Vibration     7          0.692              1.674              1.418
 Vibration     8          0.723              1.587              1.192
 Vibration     9          0.733              1.558              1.129
 Vibration    10          0.754              1.501              1.018
 Vibration    11          0.867              1.223              0.628
 Vibration    12          0.903              1.144              0.548
 Vibration    13          0.919              1.112              0.518
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.247195D-57        -57.606960       -132.644927
 Total V=0       0.169699D+16         15.229678         35.067631
 Vib (Bot)       0.105276D-70        -70.977673       -163.432131
 Vib (Bot)    1  0.211618D+01          0.325552          0.749611
 Vib (Bot)    2  0.106166D+01          0.025984          0.059829
 Vib (Bot)    3  0.931674D+00         -0.030736         -0.070772
 Vib (Bot)    4  0.855337D+00         -0.067863         -0.156259
 Vib (Bot)    5  0.753788D+00         -0.122751         -0.282645
 Vib (Bot)    6  0.744748D+00         -0.127991         -0.294709
 Vib (Bot)    7  0.634602D+00         -0.197499         -0.454757
 Vib (Bot)    8  0.537846D+00         -0.269342         -0.620183
 Vib (Bot)    9  0.511972D+00         -0.290754         -0.669486
 Vib (Bot)   10  0.467256D+00         -0.330446         -0.760879
 Vib (Bot)   11  0.317437D+00         -0.498343         -1.147477
 Vib (Bot)   12  0.286982D+00         -0.542146         -1.248337
 Vib (Bot)   13  0.275345D+00         -0.560123         -1.289731
 Vib (V=0)       0.722713D+02          1.858966          4.280426
 Vib (V=0)    1  0.267444D+01          0.427233          0.983741
 Vib (V=0)    2  0.167350D+01          0.223627          0.514920
 Vib (V=0)    3  0.155736D+01          0.192390          0.442994
 Vib (V=0)    4  0.149076D+01          0.173407          0.399285
 Vib (V=0)    5  0.140454D+01          0.147535          0.339711
 Vib (V=0)    6  0.139702D+01          0.145203          0.334343
 Vib (V=0)    7  0.130791D+01          0.116578          0.268431
 Vib (V=0)    8  0.123436D+01          0.091440          0.210549
 Vib (V=0)    9  0.121562D+01          0.084799          0.195256
 Vib (V=0)   10  0.118434D+01          0.073478          0.169190
 Vib (V=0)   11  0.109226D+01          0.038324          0.088244
 Vib (V=0)   12  0.107651D+01          0.032016          0.073720
 Vib (V=0)   13  0.107080D+01          0.029709          0.068408
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.402743D+06          5.605028         12.906055
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333333  2                                     1      1111111111111111 1 111                                  
     7                11100000  9                                     8      5554444433322211 1 0009998  8  7 6  555  333322221      
     2                22099543  4                                     4      2109831096154298 3 4206519  0  2 5  641  854065318  9   
     3                71490010  7                                     6      2273661057396631 0 9779045  9  2 1  382  584018039  7   
 
     X                XXXXXXXX  X                                     X      XXXXXXXXXXXXXXXX X XXXXXXX  X  X X  XXX  XXXXXXXXX  X   
     X                     X    X                                     X                 X     X  X                     X             
     X                                                                X                       X  X                     X             
                                                                      X                       X  X                     X             
                                                                      X                       X                                      
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                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
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                                                                      X                       X                                      
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                                                                      X                                                              
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                                                                      X                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012239   -0.000009178    0.000003171
      2        6           0.000000981    0.000006489   -0.000000218
      3        6           0.000001909    0.000004565    0.000008661
      4        6          -0.000006395    0.000002771    0.000000441
      5        8           0.000009136   -0.000005550   -0.000001346
      6        8           0.000000887    0.000001750    0.000000212
      7        8           0.000000812    0.000002869   -0.000001188
      8        1           0.000002937    0.000000729    0.000000675
      9        1           0.000001086    0.000000457   -0.000001954
     10        1          -0.000004314    0.000004280    0.000002331
     11        1           0.000000390   -0.000002630    0.000000848
     12        6           0.000001448   -0.000005122   -0.000001887
     13        6           0.000001857   -0.000006042    0.000002440
     14        1           0.000004992    0.000004294    0.000000736
     15        1          -0.000004988    0.000002745   -0.000004991
     16        1          -0.000000877    0.000001391    0.000001122
     17        1           0.000001996    0.000000374   -0.000003987
     18        1          -0.000004236   -0.000002051   -0.000001834
     19        1           0.000004618   -0.000002138   -0.000003234
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012239 RMS     0.000003964
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.943060D+02 -0.447137D+01 -0.194925D+01
      2  -0.447137D+01  0.820191D+02  0.874947D+00
      3  -0.194925D+01  0.874947D+00  0.743859D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.108740D+01 -0.177759D+01 -0.658622D+00
      2   0.412084D+01  0.109244D+01  0.360358D+02
      3  -0.146757D+02 -0.182688D+02 -0.274011D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.346596D+02  0.141203D+02  0.482596D+01
      2  -0.209875D+02 -0.722631D+01 -0.360327D+00
      3  -0.136721D+02 -0.689403D+01 -0.446563D+01
      4   0.219678D+01  0.502079D+02  0.601353D+00
      5   0.715065D+01  0.731509D+00  0.835051D+02
      6  -0.197907D+00  0.419025D+01 -0.368059D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.770753D+01 -0.248953D+01 -0.443486D+00 -0.227492D+01 -0.169941D+01
      2  -0.248953D+01  0.412610D+00  0.123154D+00 -0.169941D+01  0.534988D+00
      3  -0.443486D+00  0.123154D+00 -0.163948D+00  0.288441D+00  0.920556D-01
                 6             7             8             9            10 
      1   0.288441D+00 -0.158715D+01 -0.556363D-01  0.242086D+00 -0.363844D+01
      2   0.920556D-01 -0.556363D-01 -0.637390D+00 -0.282822D+00  0.261154D+01
      3  -0.847587D+00  0.242086D+00 -0.282822D+00 -0.832607D+00 -0.136937D+01
                11            12            13            14            15 
      1   0.261154D+01 -0.136937D+01  0.374330D+01  0.469649D+00 -0.558527D-01
      2  -0.145324D+00  0.978816D-01  0.469649D+00 -0.122929D+01 -0.237637D+00
      3   0.978816D-01 -0.100522D+01 -0.558527D-01 -0.237637D+00  0.252568D+01
                16            17            18            19            20 
      1  -0.102960D+01  0.763648D+00 -0.719180D+00  0.229981D+01 -0.211825D+01
      2   0.763648D+00 -0.119188D+01  0.902260D+00 -0.211825D+01  0.347318D+01
      3  -0.719180D+00  0.902260D+00  0.800854D+01  0.389408D+01  0.138980D+00
                21            22            23            24            25 
      1   0.389408D+01 -0.237033D+01  0.289979D+01 -0.223066D+00  0.433366D+01
      2   0.138980D+00  0.289979D+01  0.351262D+01  0.166468D+01 -0.539231D-01
      3  -0.750257D+00 -0.223066D+00  0.166468D+01 -0.225243D+01 -0.738460D+00
                26            27            28            29            30 
      1  -0.539231D-01 -0.738460D+00  0.240259D+01  0.601972D+00 -0.124877D+01
      2   0.122612D+01 -0.207382D+01  0.601972D+00 -0.310020D+01 -0.207485D+00
      3  -0.207382D+01 -0.756705D+01 -0.124877D+01 -0.207485D+00 -0.269469D+01
                31            32            33            34            35 
      1  -0.290468D+00 -0.291198D+01  0.524945D+00 -0.107202D+01  0.246998D+00
      2  -0.291198D+01 -0.109211D+01 -0.146963D+01  0.246998D+00 -0.135011D+01
      3   0.524945D+00 -0.146963D+01  0.249733D+01 -0.179486D+01  0.422142D+01
                36            37            38            39            40 
      1  -0.179486D+01 -0.411949D+01 -0.235894D+01  0.349865D+00 -0.164481D+01
      2   0.422142D+01 -0.235894D+01 -0.798458D+00  0.346719D+00 -0.247550D+00
      3   0.420302D+01  0.349865D+00  0.346719D+00  0.841581D+00 -0.261336D+00
                41            42            43            44            45 
      1  -0.247550D+00 -0.261336D+00  0.616003D+00  0.245281D+00 -0.604299D+00
      2  -0.562274D+01  0.506828D+00  0.245281D+00  0.660179D+00 -0.152271D+01
      3   0.506828D+00 -0.769169D+00 -0.604299D+00 -0.152271D+01  0.648062D+00
                46            47            48            49            50 
      1  -0.174825D+02  0.248284D+01  0.925106D+00  0.203587D+01 -0.287827D+01
      2   0.248284D+01 -0.339315D+01 -0.163920D+00 -0.287827D+01  0.236513D+01
      3   0.925106D+00 -0.163920D+00 -0.178404D+01 -0.144158D+00  0.316287D+00
                51            52            53            54            55 
      1  -0.144158D+00  0.213860D+01 -0.179693D+00 -0.369774D+01  0.403615D+01
      2   0.316287D+00 -0.179693D+00  0.677376D+00  0.755376D+00 -0.478365D+00
      3   0.857860D+00 -0.369774D+01  0.755376D+00  0.123627D+01  0.523512D-01
                56            57            58            59            60 
      1  -0.478365D+00  0.523512D-01 -0.483348D+00  0.552532D-01  0.357414D+00
      2   0.405736D+01  0.267111D+00  0.552532D-01  0.609447D+01 -0.449012D+00
      3   0.267111D+00  0.115284D+01  0.357414D+00 -0.449012D+00 -0.759540D+00
                61            62            63            64            65 
      1  -0.845719D+00  0.197838D-01  0.377704D+00  0.858973D+00 -0.355483D+00
      2   0.197838D-01 -0.411745D-01  0.101447D+01 -0.355483D+00 -0.144546D+00
      3   0.377704D+00  0.101447D+01 -0.443571D+00 -0.108927D+01  0.417577D-01
                66            67            68            69            70 
      1  -0.108927D+01 -0.522931D+00 -0.211880D+00  0.134892D-01 -0.180595D+01
      2   0.417577D-01 -0.211880D+00  0.474706D+00 -0.127711D+01  0.576959D-01
      3   0.422929D+00  0.134892D-01 -0.127711D+01 -0.232562D+00  0.836290D-01
                71            72            73            74            75 
      1   0.576959D-01  0.836290D-01  0.179351D+01 -0.180137D+01  0.120610D+01
      2  -0.167098D+01  0.367639D+00 -0.180137D+01  0.250701D+01 -0.803090D+00
      3   0.367639D+00 -0.987176D+01  0.120610D+01 -0.803090D+00  0.111761D+01
                76            77            78            79            80 
      1  -0.150129D+01  0.203835D+01 -0.595729D+00  0.163416D+01 -0.109723D+01
      2   0.203835D+01 -0.557623D+01  0.195802D+01 -0.109723D+01  0.353761D+01
      3  -0.595729D+00  0.195802D+01 -0.180560D+01  0.131602D+01 -0.260244D+01
                81            82            83            84            85 
      1   0.131602D+01  0.710949D+00 -0.870009D+00 -0.133818D+01 -0.555452D+00
      2  -0.260244D+01 -0.870009D+00  0.870153D+00  0.581374D+00  0.103053D+01
      3   0.196558D+01 -0.133818D+01  0.581374D+00  0.111054D+01  0.274119D+00
                86            87            88            89            90 
      1   0.103053D+01  0.274119D+00 -0.220130D+01  0.548775D+00  0.152381D+01
      2  -0.259388D+01 -0.178047D+01  0.548775D+00 -0.310590D+01 -0.380924D+01
      3  -0.178047D+01 -0.191537D+01  0.152381D+01 -0.380924D+01 -0.663349D+01
                91            92            93            94            95 
      1  -0.495010D+01  0.238149D+01  0.464355D+00  0.171173D+01 -0.144266D+01
      2   0.238149D+01 -0.474199D+01 -0.319259D+00 -0.144266D+01  0.190204D+01
      3   0.464355D+00 -0.319259D+00 -0.122184D+01 -0.207246D+00  0.147316D+00
                96            97            98            99           100 
      1  -0.207246D+00  0.964300D+00 -0.358895D+00 -0.622934D+00  0.237944D-01
      2   0.147316D+00 -0.358895D+00  0.956334D+00  0.771668D+00  0.271161D+01
      3   0.561976D+00 -0.622934D+00  0.771668D+00  0.455870D+00 -0.478791D+01
               101           102           103           104           105 
      1   0.271161D+01 -0.478791D+01  0.303957D+01 -0.274785D+01  0.441337D+00
      2  -0.210015D+01  0.420926D+00 -0.274785D+01 -0.454023D+01 -0.279021D+01
      3   0.420926D+00  0.164679D+01  0.441337D+00 -0.279021D+01  0.219241D+01
               106           107           108           109           110 
      1  -0.398246D+01  0.213282D+00  0.133659D+01 -0.150054D+01  0.268264D+01
      2   0.213282D+00 -0.111103D+01  0.186460D+01  0.268264D+01 -0.306679D+01
      3   0.133659D+01  0.186460D+01  0.439180D+01 -0.339422D+01  0.240294D+00
               111           112           113           114           115 
      1  -0.339422D+01  0.311453D+01 -0.393259D+01  0.211376D+00 -0.379521D+01
      2   0.240294D+00 -0.393259D+01 -0.449535D+01 -0.915076D+00  0.259935D+00
      3   0.176326D+01  0.211376D+00 -0.915076D+00  0.192674D+01  0.584818D+00
               116           117           118           119           120 
      1   0.259935D+00  0.584818D+00 -0.388294D+01 -0.845534D+00  0.251852D+01
      2  -0.115356D+01  0.160186D+01 -0.845534D+00 -0.822954D+00  0.263828D+00
      3   0.160186D+01  0.708818D+01  0.251852D+01  0.263828D+00 -0.384736D+01
               121           122           123           124           125 
      1  -0.990505D+00 -0.486673D+00  0.409332D+00  0.215964D+01  0.243217D+00
      2  -0.486673D+00 -0.938366D-01  0.103718D+01  0.243217D+00  0.807775D+00
      3   0.409332D+00  0.103718D+01 -0.125177D+01 -0.202328D+01 -0.607557D+00
               126           127           128           129           130 
      1  -0.202328D+01  0.823406D+00  0.897677D+00  0.887114D+00  0.151590D+01
      2  -0.607557D+00  0.897677D+00  0.122860D+01  0.371039D+00  0.176914D+01
      3   0.362855D+01  0.887114D+00  0.371039D+00  0.258772D+00  0.857524D+00
               131           132           133           134           135 
      1   0.176914D+01  0.857524D+00  0.574172D+00  0.283153D+00  0.260290D+00
      2   0.666996D+01  0.244698D+01  0.283153D+00  0.126982D+01  0.107119D+01
      3   0.244698D+01  0.253478D+01  0.260290D+00  0.107119D+01  0.804363D+00
               136           137           138           139           140 
      1   0.493276D+01 -0.180175D+01  0.300486D+01 -0.260252D+01  0.184533D+01
      2  -0.180175D+01  0.175285D+01 -0.924301D+00  0.184533D+01 -0.148790D+01
      3   0.300486D+01 -0.924301D+00  0.262050D+01 -0.142304D+01  0.151134D+01
               141           142           143           144           145 
      1  -0.142304D+01  0.191028D+01 -0.671795D+00  0.165357D+01 -0.122693D+00
      2   0.151134D+01 -0.671795D+00  0.818351D+00 -0.105683D+01 -0.374665D+00
      3  -0.222825D+01  0.165357D+01 -0.105683D+01  0.210962D+01 -0.578341D+00
               146           147           148           149           150 
      1  -0.374665D+00 -0.578341D+00 -0.725532D+00  0.532088D+00  0.177447D+00
      2   0.567734D-01 -0.456422D-01  0.532088D+00  0.420894D-03 -0.102479D+01
      3  -0.456422D-01 -0.659198D+00  0.177447D+00 -0.102479D+01 -0.121792D+01
               151           152           153           154           155 
      1  -0.167655D+01 -0.638462D-01  0.139690D+01  0.784633D+01 -0.236492D+01
      2  -0.638462D-01 -0.112122D+01 -0.629742D+00 -0.236492D+01  0.200176D+01
      3   0.139690D+01 -0.629742D+00 -0.902233D+01  0.787330D+00 -0.347511D+00
               156           157           158           159           160 
      1   0.787330D+00 -0.426028D+01  0.258188D+01 -0.209853D+00  0.273436D+01
      2  -0.347511D+00  0.258188D+01 -0.169288D+01  0.408726D+00 -0.584474D+00
      3   0.980630D+00 -0.209853D+00  0.408726D+00 -0.107526D+01  0.101425D+01
               161           162           163           164           165 
      1  -0.584474D+00  0.101425D+01  0.226089D+01  0.148903D+01  0.159880D+00
      2   0.851687D+00 -0.702503D+00  0.148903D+01  0.195327D+01 -0.818567D-01
      3  -0.702503D+00  0.282527D+00  0.159880D+00 -0.818567D-01  0.211112D+00
               166           167           168           169           170 
      1   0.306149D+01  0.333686D+01 -0.435147D+00  0.930785D+00  0.183724D+00
      2   0.333686D+01  0.687012D+01 -0.145477D+00  0.183724D+00  0.577985D+00
      3  -0.435147D+00 -0.145477D+00  0.125868D+01  0.411102D+00  0.717168D+00
               171 
      1   0.411102D+00
      2   0.717168D+00
      3  -0.451583D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128711D+01  0.442199D+01 -0.110150D+01  0.290171D+01  0.186531D+01
      2  -0.193493D+01 -0.320996D+01 -0.103766D+02 -0.275122D+01 -0.764893D+00
      3  -0.191364D+01  0.969073D+01  0.115800D+01 -0.117296D+01 -0.279124D+01
                 6             7             8             9            10 
      1   0.473400D+01  0.853899D+00  0.131437D+02 -0.176242D+01  0.494242D+00
      2   0.327488D+01 -0.139982D+02 -0.363746D+01  0.355801D+01 -0.381811D+01
      3  -0.155570D+01  0.311234D+01 -0.628118D+01  0.382936D+00  0.135683D+01
                11            12            13            14            15 
      1  -0.111613D+01 -0.271078D+01 -0.197896D+01  0.455159D+00 -0.641379D+00
      2   0.228507D+01  0.967070D+00  0.453242D+01  0.400262D+00  0.371185D+01
      3  -0.260014D+01 -0.726229D+00  0.733530D+01 -0.643371D+00  0.116772D+01
                16            17            18            19            20 
      1  -0.122757D+01  0.186764D+01 -0.156220D+01 -0.815640D+00 -0.307829D+00
      2  -0.258842D+01  0.493904D+00 -0.475304D+01  0.928229D+01 -0.122185D+00
      3  -0.827906D+00  0.285126D+01 -0.181732D+01  0.319390D+01 -0.907678D+01
                21            22            23            24            25 
      1   0.813993D+00 -0.437327D+00  0.664285D+00 -0.611945D+01  0.296639D+00
      2   0.392121D+01 -0.850918D+00  0.209121D+01 -0.296897D+01 -0.513745D+01
      3   0.533472D-01 -0.658118D+00 -0.664179D+01 -0.294537D+01  0.941846D+00
                26            27            28            29            30 
      1   0.249976D+01 -0.128107D+01  0.117151D+00  0.221965D+01 -0.490968D+01
      2  -0.263519D+01 -0.542719D+01 -0.192687D+01  0.561085D+00 -0.286301D+01
      3  -0.263202D+01  0.223405D+01 -0.111557D+02  0.193552D+01  0.937570D+00
                31            32            33            34            35 
      1   0.341971D+01 -0.378318D+01  0.602660D+01 -0.311140D+01  0.130054D+02
      2  -0.524134D+00 -0.257798D+01  0.193355D+01 -0.680994D+01  0.550416D+01
      3   0.447312D+01  0.637675D+01  0.167979D+01 -0.264780D-01  0.158985D+01
                36            37            38            39            40 
      1   0.695620D+01 -0.517361D+00 -0.193272D+01 -0.112456D+00  0.129013D+01
      2   0.308655D+01 -0.264868D+00  0.147652D+01  0.661329D+01  0.927420D+00
      3   0.118501D+01  0.104354D+02 -0.305399D+01 -0.117289D+01  0.119888D+02
                41            42            43            44            45 
      1   0.188507D+01 -0.688873D+01 -0.479236D+01 -0.189426D+01  0.181820D+01
      2  -0.509036D+00 -0.756571D+00 -0.323038D+01  0.403960D+01 -0.146362D+01
      3  -0.540355D+01  0.418672D-02 -0.344307D+01  0.571470D+00 -0.314034D+00
                46            47            48            49            50 
      1   0.169586D+01 -0.115606D+01  0.151702D+01 -0.105848D+01 -0.411553D+00
      2  -0.321119D+01  0.240676D+00  0.146738D+02  0.129244D+01 -0.591893D+00
      3   0.911571D+01 -0.209144D+02 -0.651746D+00 -0.183201D+01  0.920894D+01
                51            52            53            54            55 
      1  -0.357918D+01 -0.183559D+01  0.395339D+00  0.617709D+00  0.143383D+01
      2  -0.238899D+01  0.512975D+01  0.991717D+00 -0.445398D+01 -0.412920D+00
      3   0.701355D+00 -0.641570D+00  0.475442D+01  0.275426D+01  0.137109D+02
                56            57            58            59            60 
      1  -0.147153D+01 -0.197859D+01  0.112045D+00 -0.313118D+01 -0.661809D+01
      2   0.102351D+01  0.929498D+00 -0.757010D+00 -0.685217D+00 -0.116328D+01
      3  -0.507173D-01 -0.110959D+01  0.580985D+01  0.396260D+01  0.156698D+00
                61            62            63            64            65 
      1  -0.713471D+00  0.214850D+01 -0.188492D+01  0.172023D+00 -0.295930D-01
      2  -0.376588D+01  0.563028D+00 -0.118716D+00  0.220672D+01 -0.295030D+00
      3  -0.152969D+01  0.749281D-01  0.183694D+01  0.632816D+00 -0.109078D+01
                66            67            68            69            70 
      1   0.358649D+00 -0.406975D+00  0.466976D+00  0.520167D+00 -0.590551D+00
      2  -0.694286D-01 -0.109406D+01  0.446260D+00 -0.123829D+00 -0.486216D+01
      3  -0.496767D+00  0.240523D+00  0.107244D+00 -0.406426D+00 -0.857048D+00
                71            72            73            74            75 
      1   0.405298D+01  0.464009D+01  0.288995D+01 -0.185021D+01  0.310874D+01
      2   0.436754D+00  0.357535D+01  0.908953D+00 -0.833081D+00  0.214361D+01
      3  -0.820061D+00  0.751723D+00 -0.290127D+01 -0.764202D-01 -0.189462D+01
                76            77            78            79            80 
      1  -0.208726D+01  0.458413D+01 -0.576182D+01  0.319818D+01 -0.391557D+01
      2   0.260637D+00  0.187795D+01 -0.213918D+01 -0.233923D-01 -0.239741D+01
      3   0.458864D+01 -0.918747D+00 -0.452413D-01 -0.394598D+01 -0.109344D+01
                81            82            83            84            85 
      1   0.572684D+01 -0.250842D+01  0.105723D+00  0.220438D+01 -0.188783D+00
      2   0.219958D+01  0.639082D-01 -0.141595D+00  0.789064D+00 -0.601040D+00
      3  -0.108807D+01 -0.146954D+01 -0.457772D+00  0.236411D+01  0.160443D+01
                86            87            88            89            90 
      1  -0.165928D+01 -0.452872D+01  0.350583D+01 -0.296731D+01 -0.120761D+02
      2  -0.807889D+00 -0.154109D+01 -0.225889D+01 -0.269703D+01 -0.464384D+01
      3  -0.125673D+01  0.348314D+00  0.564073D+01  0.105460D+01 -0.159249D+01
                91            92            93            94            95 
      1  -0.239526D+01  0.157969D+01  0.312245D+01  0.359452D+00 -0.101745D+01
      2  -0.190929D+00  0.617119D-01  0.216649D+01  0.963579D-01  0.173049D+00
      3  -0.142284D+02 -0.185674D+01  0.149813D+01  0.157817D+01 -0.301289D+01
                96            97            98            99           100 
      1  -0.144735D+01  0.971244D+00 -0.737706D+00 -0.131359D+01  0.627142D+01
      2  -0.821035D+00 -0.398134D+00 -0.959102D+00 -0.380850D+00 -0.659216D+01
      3  -0.115313D+00  0.235640D+01 -0.300478D+00 -0.484494D+00 -0.346457D+01
               101           102           103           104           105 
      1  -0.441813D+01 -0.295352D+00 -0.556433D+01 -0.931564D+01 -0.924632D+01
      2  -0.454764D+01  0.152748D+02 -0.474737D+01  0.123843D+01  0.206898D+01
      3   0.197817D+01 -0.234085D+01  0.703117D+01  0.564278D+01  0.362471D+01
               106           107           108           109           110 
      1   0.574561D+00 -0.242681D+01  0.343188D+01 -0.129333D+01  0.317047D+01
      2   0.741392D+01  0.189810D+01  0.201538D+01 -0.116413D+02  0.276695D+01
      3  -0.158399D+01  0.224144D+01 -0.216808D+01 -0.773242D+01  0.745768D+01
               111           112           113           114           115 
      1  -0.675875D+00  0.430917D+01  0.481901D+01 -0.159702D+01  0.299704D+00
      2   0.183890D+01  0.331697D+01 -0.589948D+01  0.496864D+01 -0.498750D+01
      3  -0.142689D+01  0.166336D+02  0.120281D+02  0.155653D+01 -0.204585D+01
               116           117           118           119           120 
      1   0.199486D+01 -0.371221D+01 -0.226714D+01 -0.288200D+01  0.944739D+00
      2   0.395256D+01  0.196953D+02  0.132654D+02  0.247986D+01 -0.668177D+01
      3   0.309422D+01 -0.430076D+01 -0.164183D+00 -0.940910D+00  0.329932D+00
               121           122           123           124           125 
      1  -0.124709D+01 -0.655234D+00  0.911816D+00  0.121635D+01  0.316864D+01
      2   0.302492D+01  0.209534D+01 -0.174990D+01 -0.852827D+01 -0.127454D+01
      3   0.117923D+01 -0.171645D+00 -0.969705D+00 -0.284217D-01  0.604996D-01
               126           127           128           129           130 
      1  -0.176301D+01  0.123637D+01  0.217729D+01  0.178461D+00  0.251637D+01
      2   0.680044D+01  0.293152D+00 -0.773890D+00  0.676225D-01 -0.224510D+01
      3   0.475489D-01 -0.620396D+00 -0.204392D+01 -0.365218D+00  0.844441D+00
               131           132           133           134           135 
      1   0.131183D+02  0.410046D+00  0.670422D+00  0.302549D+01  0.148525D+01
      2   0.638318D+00  0.276298D+01 -0.154605D+01  0.834371D+00  0.700154D+00
      3  -0.950161D+01 -0.284936D+01 -0.151773D-01 -0.172566D+01 -0.162742D+01
               136           137           138           139           140 
      1  -0.413919D+01  0.469932D+01 -0.118806D+01  0.334371D+01 -0.366857D+01
      2  -0.527314D+01  0.226343D+01  0.112559D+01  0.354848D+01 -0.120715D+01
      3   0.247408D+01 -0.465118D+01  0.169776D+01 -0.148641D+01  0.320789D+01
               141           142           143           144           145 
      1   0.129879D+01 -0.172555D+01  0.310578D+01 -0.199869D+01  0.522817D+00
      2  -0.140889D+01 -0.311420D+01 -0.355978D-01  0.543499D+00 -0.240996D+01
      3  -0.203955D+01  0.950259D+00 -0.189269D+01  0.180984D+01  0.906653D+00
               146           147           148           149           150 
      1   0.218519D+00  0.290971D-01 -0.247785D+00  0.636681D+00  0.236270D+00
      2  -0.414568D+00 -0.713128D+00 -0.843683D+00 -0.174839D+01 -0.292399D+01
      3  -0.909371D+00 -0.508378D-01 -0.363328D+00  0.180086D+00  0.219828D+01
               151           152           153           154           155 
      1  -0.562390D-01  0.432091D+01  0.278714D+01  0.189433D+01 -0.148733D+01
      2  -0.229730D+01 -0.200776D+01 -0.217080D+02  0.853141D+01 -0.333371D+01
      3   0.140452D+00  0.306559D+01  0.196532D+01  0.715337D+01 -0.830063D+01
               156           157           158           159           160 
      1   0.110254D+01 -0.168976D+01  0.987187D+00 -0.170252D+01  0.295163D+00
      2   0.580760D+01 -0.387097D+01  0.333527D+01 -0.452263D+01  0.327567D+01
      3   0.130326D+01 -0.562636D+01  0.596119D+01 -0.142079D+01  0.162807D+01
               161           162           163           164           165 
      1   0.213026D+00  0.935792D+00 -0.150455D+01 -0.194111D+01 -0.407776D+00
      2  -0.236464D+01  0.230415D+01  0.214925D+01  0.950915D+00  0.157821D+01
      3  -0.303630D+01  0.202009D+01 -0.309467D+01 -0.604700D+01  0.456181D+00
               166           167           168           169           170 
      1  -0.237022D+01 -0.627814D+01 -0.319991D+01 -0.641687D-01  0.822742D-02
      2   0.128585D+01  0.249583D+01  0.378749D+01  0.574545D+00  0.153088D+01
      3  -0.501588D+01 -0.185703D+02 -0.651599D-01  0.175081D+00 -0.157645D+01
               171 
      1  -0.607579D+00
      2  -0.554163D+00
      3  -0.159504D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.526320D+02 -0.506323D+00  0.100010D+01  0.134345D+02  0.109590D+02
      2   0.301595D+02  0.502876D+01 -0.439322D+01 -0.874148D+01 -0.128582D+02
      3   0.224725D+02 -0.452244D+01  0.339312D+01 -0.469301D+01  0.189928D+01
      4   0.103992D+02 -0.129962D+02 -0.564848D-01  0.142096D+01  0.782627D+01
      5   0.267420D+01  0.668093D+00 -0.152651D+02 -0.118450D+01  0.396025D+00
      6  -0.161971D+00 -0.887967D+00  0.432568D+01  0.998675D-01 -0.506345D+00
                 6             7             8             9            10 
      1  -0.266312D+01  0.101837D+02 -0.194153D+01 -0.639906D+01 -0.188622D+01
      2   0.730438D+00 -0.732045D+01 -0.266848D+00 -0.416477D+01  0.581422D+01
      3   0.193269D+01 -0.286324D+01  0.220838D+01  0.105638D+02 -0.392801D+01
      4   0.656445D+00 -0.960718D+00  0.354057D+01  0.118147D+01 -0.217185D+01
      5   0.949496D+01  0.501513D+01 -0.209950D+00  0.687106D+01 -0.259087D+01
      6  -0.507233D+01  0.794015D+00  0.239007D+01  0.112222D+01 -0.246341D-01
                11            12            13            14            15 
      1  -0.206349D+01 -0.891377D+00  0.877231D+01  0.384887D+00  0.222348D+01
      2   0.400874D+01  0.426067D-01 -0.456374D+01 -0.642621D+01  0.622179D+01
      3  -0.194524D+01  0.848770D+00 -0.420857D+01  0.604132D+01 -0.844527D+01
      4  -0.100508D+01  0.231375D+00 -0.479537D+01  0.783800D+00 -0.161518D+01
      5  -0.161811D+01 -0.128197D+00 -0.217171D+01 -0.301250D+00  0.469161D+01
      6  -0.184448D+01  0.253567D+01 -0.130391D+01  0.118738D+01 -0.286969D+01
                16            17            18            19            20 
      1  -0.845549D+01  0.726850D+00  0.149360D+02 -0.349211D+01 -0.286555D+01
      2   0.288678D+01 -0.362293D+01  0.166322D+02 -0.361363D+01 -0.250957D+01
      3   0.556871D+01  0.289608D+01 -0.315681D+02  0.710574D+01  0.537512D+01
      4  -0.110255D+01 -0.941080D+00 -0.372516D+01 -0.521376D+01  0.583327D+01
      5   0.520532D+00 -0.159554D+01 -0.143341D+01  0.166434D+02  0.168757D+01
      6  -0.324930D+01  0.139628D+01  0.773926D+01  0.329497D+00  0.318875D+01
                21            22            23            24            25 
      1   0.114109D+02 -0.990733D+01  0.116798D+02  0.160935D+01  0.165925D+02
      2  -0.507748D+01  0.590605D+01 -0.102508D+02 -0.231379D+00 -0.674786D+01
      3  -0.633341D+01  0.400128D+01 -0.142905D+01 -0.137797D+01 -0.984459D+01
      4   0.257966D+00  0.107133D+02  0.787636D+01  0.232926D+01  0.438504D+00
      5  -0.268717D+01  0.927380D+00  0.217165D+01 -0.582956D+01 -0.297112D+01
      6  -0.304301D+01  0.192563D+01 -0.331218D+01  0.457440D+01 -0.331844D+01
                26            27            28            29            30 
      1   0.490305D+00 -0.625462D+01 -0.917049D+00 -0.871923D+01 -0.330285D+01
      2   0.816231D+00  0.555956D+01  0.937103D+00  0.138408D+02 -0.112839D+01
      3  -0.130654D+01  0.695056D+00 -0.200539D-01 -0.512154D+01  0.443124D+01
      4   0.175331D+01 -0.635005D+01 -0.309958D+01 -0.154495D+02  0.234090D+01
      5  -0.568315D+01 -0.149089D+02 -0.462793D+01  0.915055D+00 -0.760071D+01
      6   0.379928D+01 -0.160816D+01  0.696420D+00 -0.113651D+01  0.107869D+02
                31            32            33            34            35 
      1  -0.549060D+01 -0.255346D+01  0.478513D+00 -0.345240D+01  0.136496D+01
      2   0.847092D+01  0.247105D+01  0.707332D+01 -0.215836D+01  0.794302D+01
      3  -0.298032D+01  0.824099D-01 -0.755184D+01  0.561076D+01 -0.930798D+01
      4  -0.771431D+01  0.519538D+01 -0.330911D+01  0.234492D+01 -0.274187D+01
      5   0.580627D+00 -0.195111D+01  0.378197D+01 -0.490114D+01  0.962637D+01
      6  -0.342569D+01  0.889106D+01 -0.134220D+02  0.104714D+02 -0.191416D+02
                36            37            38            39            40 
      1   0.128532D+02  0.662544D+01  0.411831D+01  0.110009D+01 -0.303672D+01
      2  -0.109792D+02  0.767155D+00 -0.161378D+01  0.976418D+00  0.398869D+01
      3  -0.187402D+01 -0.739260D+01 -0.250453D+01 -0.207650D+01 -0.951970D+00
      4   0.127478D+02  0.106068D+02  0.195774D+02 -0.897192D+00  0.107195D+02
      5   0.821263D+01  0.154123D+01  0.491046D+00  0.954740D+01  0.602039D+00
      6  -0.139611D+02  0.859454D+00 -0.137304D+01 -0.177658D+01  0.409127D+00
                41            42            43            44            45 
      1  -0.170912D+02  0.162694D+01 -0.193744D+00  0.517699D+00 -0.449601D+01
      2   0.274529D+02 -0.759557D+00  0.448530D+00  0.862260D-01  0.330981D+01
      3  -0.103618D+02 -0.867379D+00 -0.254786D+00 -0.603925D+00  0.118620D+01
      4   0.944401D+01 -0.101104D+01 -0.939318D+00 -0.170754D+01  0.575323D+01
      5   0.972513D+00 -0.274506D+01  0.332764D+01  0.419023D+01 -0.201950D+01
      6  -0.364616D+00  0.103995D+02  0.190115D+01  0.914685D+01 -0.219661D+01
                46            47            48            49            50 
      1   0.102005D+03 -0.882969D+01 -0.367845D+01 -0.116768D+02  0.769193D+01
      2  -0.583621D+02  0.443528D+01  0.331894D+01  0.687484D+01 -0.236506D-02
      3  -0.436429D+02  0.439440D+01  0.359506D+00  0.480192D+01 -0.768957D+01
      4  -0.779883D+01  0.230120D+02  0.520401D+00  0.208459D+02 -0.857712D+01
      5  -0.235594D+01  0.121085D+00  0.243820D+02  0.118123D+01 -0.116912D+01
      6   0.158279D+00  0.896772D+00 -0.256798D+01 -0.866905D+00 -0.370453D+00
                51            52            53            54            55 
      1   0.931503D+00 -0.907267D+01  0.139509D+01  0.132871D+02 -0.123129D+01
      2  -0.411212D+00  0.657618D+01  0.443328D-01 -0.116145D+02 -0.138344D+01
      3  -0.520291D+00  0.249649D+01 -0.143942D+01 -0.167263D+01  0.261473D+01
      4  -0.222137D+01  0.156005D+01 -0.341219D+01 -0.108240D+01  0.164374D+02
      5  -0.553538D+01  0.241989D+02 -0.347059D+01 -0.780560D+01  0.567564D+00
      6   0.511305D+01 -0.303826D+00  0.425637D+01  0.814216D-02 -0.185393D+01
                56            57            58            59            60 
      1  -0.413461D+01  0.802694D+00 -0.280678D+01 -0.245226D+02 -0.186898D+01
      2   0.895227D+01  0.111125D+01  0.228309D+01  0.385037D+02 -0.511425D+01
      3  -0.481765D+01 -0.191395D+01  0.523685D+00 -0.139812D+02  0.698323D+01
      4  -0.619907D+01 -0.183240D+01  0.398690D+01 -0.256837D+01  0.153432D+01
      5  -0.108483D+01  0.261628D+01  0.825318D+00  0.234290D+00 -0.246687D+01
      6   0.699196D+00  0.185438D+01  0.142570D+01 -0.277300D+01  0.102320D+02
                61            62            63            64            65 
      1   0.284271D+00 -0.585757D+00 -0.661880D+01 -0.500629D+00  0.107223D+01
      2   0.652538D+00  0.285452D+01  0.118054D+01 -0.426725D+01 -0.608170D+00
      3  -0.936809D+00 -0.226877D+01  0.543826D+01  0.476788D+01 -0.464057D+00
      4  -0.167451D+01  0.180537D+01  0.708469D+00  0.114474D+01  0.234996D+01
      5   0.253328D+01 -0.102838D+01 -0.133708D+00  0.560027D+00 -0.281811D+00
      6   0.103566D+01  0.849356D+01  0.850073D-01 -0.148894D+01  0.177234D+00
                66            67            68            69            70 
      1   0.550360D+00 -0.142145D+00 -0.395588D+01  0.692860D+00  0.154676D+01
      2  -0.594652D-01  0.488149D+00  0.572768D+00 -0.313689D+01  0.455513D+00
      3  -0.490895D+00 -0.346004D+00  0.338311D+01  0.244403D+01 -0.200228D+01
      4  -0.161505D+01  0.184577D+01  0.308977D-01  0.558190D+00 -0.166183D+01
      5   0.735832D+01  0.408561D+00  0.340025D+00 -0.653463D-01  0.592542D+01
      6  -0.152600D+00  0.153929D+00 -0.166386D+01  0.690874D+01  0.754929D+00
                71            72            73            74            75 
      1   0.333120D+01 -0.219192D+02  0.816472D+00  0.307767D+01 -0.461348D+00
      2  -0.299049D+01 -0.215899D+02  0.457405D+01 -0.962762D+01  0.214105D+01
      3  -0.340707D+00  0.435090D+02 -0.539052D+01  0.654994D+01 -0.167970D+01
      4   0.168137D+01  0.185556D+01 -0.969239D+01  0.138982D+02 -0.595539D+01
      5   0.278565D+00  0.452060D+01  0.357468D+01 -0.335845D+01  0.410049D+01
      6   0.625545D+01 -0.119870D+02 -0.599734D+01  0.478784D+01 -0.507034D+01
                76            77            78            79            80 
      1   0.415448D+01 -0.151164D+02  0.513867D+01 -0.525076D+00  0.895273D+01
      2  -0.864246D+01  0.284078D+02 -0.943327D+01  0.260570D+01 -0.152504D+02
      3   0.448798D+01 -0.132914D+02  0.429460D+01 -0.208062D+01  0.629769D+01
      4   0.100401D+02 -0.145711D+02  0.515654D+01 -0.765818D+01  0.891987D+01
      5  -0.242923D+01  0.377669D+01 -0.354417D+01  0.466689D+01 -0.536396D+01
      6   0.360462D+01 -0.126239D+02  0.105370D+02 -0.630899D+01  0.150192D+02
                81            82            83            84            85 
      1  -0.805437D+01 -0.853059D+00  0.125823D+01  0.114945D+00  0.257748D+01
      2   0.768577D+01  0.209658D+00 -0.272722D+01  0.235590D+00 -0.373197D+01
      3   0.368595D+00  0.643401D+00  0.146900D+01 -0.350535D+00  0.115448D+01
      4  -0.738056D+01 -0.362826D+01  0.707506D+01  0.535344D+01  0.488831D+01
      5   0.437284D+01 -0.327689D+01  0.319669D+01  0.683467D+01  0.161816D+01
      6  -0.106038D+02  0.580600D+01 -0.252645D+01 -0.453444D+01 -0.204782D+01
                86            87            88            89            90 
      1  -0.976595D+01 -0.698673D+01  0.176030D+01 -0.120192D+02 -0.176074D+02
      2   0.114008D+02  0.627495D+01  0.102971D+01  0.895434D+01  0.369677D+01
      3  -0.163483D+01  0.711773D+00 -0.279001D+01  0.306482D+01  0.139106D+02
      4  -0.577178D+01 -0.250695D+01  0.643239D+01 -0.583225D+01 -0.794777D+01
      5  -0.287568D+01 -0.297493D+01  0.760836D+01 -0.644487D+01 -0.106554D+02
      6   0.106345D+02  0.129581D+02 -0.695149D+01  0.199872D+02  0.276508D+02
                91            92            93            94            95 
      1   0.687740D+01  0.358485D+01 -0.912645D+00 -0.913638D+00 -0.114679D+01
      2   0.347266D+01 -0.126932D+02 -0.100735D+01 -0.366281D+01  0.711843D+01
      3  -0.103501D+02  0.910838D+01  0.192000D+01  0.457645D+01 -0.597164D+01
      4  -0.229560D+02  0.193018D+02  0.265008D+01  0.878741D+01 -0.806147D+01
      5  -0.626174D+00  0.573073D+00  0.243182D+01  0.175613D+00 -0.453964D+00
      6   0.216918D+01 -0.481486D+00 -0.437321D+01 -0.680200D+00  0.447881D+00
                96            97            98            99           100 
      1   0.910305D-01 -0.197620D+00 -0.124372D+01 -0.938962D+00  0.507055D+01
      2   0.339512D+00 -0.898592D+00  0.220820D+01  0.491378D+00  0.872630D+01
      3  -0.430542D+00  0.109621D+01 -0.964473D+00  0.447584D+00 -0.137969D+02
      4  -0.872257D+00  0.335582D+01 -0.263535D+01 -0.350793D+01  0.872575D+01
      5  -0.100846D+01  0.329588D+01 -0.242653D+01 -0.763178D+00 -0.118159D+02
      6   0.229835D+01 -0.297646D+01  0.409682D+01  0.188884D+01  0.954608D+01
               101           102           103           104           105 
      1   0.895912D+01 -0.162026D+02  0.118655D+02 -0.155160D+01  0.154379D+01
      2  -0.638147D+01  0.367569D+01 -0.982156D+01 -0.143930D+00 -0.779900D+01
      3  -0.257765D+01  0.125269D+02 -0.204389D+01  0.169553D+01  0.625521D+01
      4  -0.578453D+01  0.326884D+01 -0.898056D+01 -0.120112D+02 -0.846131D+01
      5   0.980392D+01 -0.114702D+02  0.104499D+02 -0.133111D+02  0.669105D+01
      6  -0.774389D+01  0.208350D+01 -0.102032D+02 -0.131912D+02 -0.745506D+01
               106           107           108           109           110 
      1  -0.137549D+02  0.236628D-01 -0.343226D+01 -0.119592D+02  0.170620D+02
      2   0.228967D+01 -0.672954D+01 -0.702800D+01  0.673797D+00 -0.976803D+01
      3   0.114652D+02  0.670588D+01  0.104603D+02  0.112854D+02 -0.729402D+01
      4   0.219908D+01 -0.462926D+01  0.594567D+01  0.173875D+02 -0.168059D+02
      5  -0.113952D+02  0.552559D+01  0.139437D+02 -0.184435D+02 -0.950787D+00
      6   0.234503D+01 -0.604767D+01  0.747653D+01 -0.418490D+01  0.317629D+01
               111           112           113           114           115 
      1  -0.163703D+02  0.223424D+02 -0.162397D+02  0.430967D+01 -0.211357D+02
      2   0.963010D+01 -0.155107D+02  0.558813D+00  0.285805D+00  0.913517D+01
      3   0.674024D+01 -0.683164D+01  0.156809D+02 -0.459547D+01  0.120005D+02
      4   0.113939D+01 -0.243774D+02 -0.236326D+02 -0.374004D+01  0.260869D+01
      5   0.887799D+01 -0.654890D+00 -0.216580D+01  0.726696D+01  0.656707D+01
      6   0.455308D+00  0.491950D+01  0.512201D+01  0.147534D+01  0.977944D+00
               116           117           118           119           120 
      1   0.519178D+01  0.151090D+02 -0.781516D+01 -0.237922D+01  0.137003D+02
      2  -0.108599D+01  0.682409D+01 -0.298460D+01  0.505447D+00  0.519336D+01
      3  -0.410579D+01 -0.219331D+02  0.107998D+02  0.187377D+01 -0.188937D+02
      4  -0.640438D+01  0.822007D+01 -0.146224D+01  0.948000D+00  0.310162D+00
      5   0.691684D+01  0.247382D+02 -0.104764D+02 -0.263439D+01  0.644245D+01
      6   0.160286D+01 -0.238893D+01 -0.296268D+01 -0.401099D+01  0.156937D+01
               121           122           123           124           125 
      1  -0.342632D+01 -0.330080D+01  0.328761D+01  0.950188D+01  0.195207D+01
      2   0.137279D+01  0.506157D+00  0.183909D+01  0.282618D+01  0.143861D+01
      3   0.205353D+01  0.279464D+01 -0.512670D+01 -0.123281D+02 -0.339068D+01
      4   0.220631D+01  0.112720D+01  0.887689D+00  0.558204D+00  0.534961D+00
      5  -0.294520D+01 -0.173741D+00 -0.681465D+00  0.853888D+01  0.427146D+00
      6  -0.237616D+01 -0.110262D+01  0.606201D+01  0.139537D+01  0.498905D+01
               126           127           128           129           130 
      1  -0.142387D+02  0.145170D+01  0.138476D+01  0.198560D+01  0.199491D+01
      2  -0.781841D+01 -0.911660D+00  0.582137D+00 -0.994084D+00  0.245705D+00
      3   0.220571D+02 -0.540045D+00 -0.196689D+01 -0.991513D+00 -0.224062D+01
      4  -0.980503D+00  0.416012D+01  0.780428D+01  0.200791D+01  0.962079D+01
      5  -0.506349D+01  0.463464D+01  0.345558D+01  0.532000D+01  0.642764D+01
      6  -0.250096D+01  0.259670D+01  0.470345D+01  0.181586D+01  0.669932D+01
               131           132           133           134           135 
      1  -0.854265D+01 -0.642685D+01  0.745557D+00 -0.413931D+01 -0.421964D+01
      2   0.128243D+02 -0.197544D+00 -0.101291D+01  0.244881D+00  0.238429D+00
      3  -0.428169D+01  0.662440D+01  0.267357D+00  0.389443D+01  0.398121D+01
      4   0.195595D+02  0.737864D+01  0.792643D+00  0.358412D+01  0.302607D+01
      5   0.988790D+01  0.794162D+01  0.406603D+01  0.354002D+01  0.246941D+01
      6   0.243947D+02  0.129644D+02  0.175625D+01  0.989881D+01  0.589651D+01
               136           137           138           139           140 
      1   0.186815D+02 -0.538966D+01  0.567558D+01 -0.765164D+01  0.203234D+01
      2  -0.168583D+02  0.427578D+01 -0.111588D+02  0.623235D+01 -0.122250D+01
      3  -0.182325D+01  0.111388D+01  0.548324D+01  0.141929D+01 -0.809841D+00
      4  -0.817290D+01  0.811451D+01 -0.406442D+01  0.892547D+01 -0.719204D+01
      5   0.249492D+02 -0.873612D+01  0.197803D+02 -0.125554D+02  0.951773D+01
      6  -0.742354D+01  0.762222D+01 -0.478286D+01  0.779681D+01 -0.684667D+01
               141           142           143           144           145 
      1   0.158702D+00  0.367762D+01  0.319212D+00  0.134434D+00  0.500192D+00
      2   0.598832D+01 -0.788323D+01  0.358890D+01 -0.918000D+01 -0.221076D+01
      3  -0.614702D+01  0.420561D+01 -0.390811D+01  0.904556D+01  0.171057D+01
      4   0.582147D+01 -0.244368D+01  0.316155D+01 -0.410894D+01 -0.193311D+01
      5  -0.106950D+02  0.146657D+02 -0.601440D+01  0.135292D+02 -0.167422D+01
      6   0.760849D+01 -0.397046D+01  0.525357D+01 -0.564631D+01  0.684825D+00
               146           147           148           149           150 
      1  -0.229193D+01 -0.446623D+01 -0.390401D+01 -0.591506D+00 -0.197027D+01
      2   0.131540D+01  0.143015D+01  0.274668D+01 -0.542724D+00 -0.156024D+01
      3   0.976532D+00  0.303609D+01  0.115732D+01  0.113423D+01  0.353052D+01
      4   0.185701D+01 -0.155893D+00  0.419894D+01  0.380137D+00 -0.421196D+01
      5   0.594289D+00  0.412768D+01  0.192331D+01 -0.388392D+01 -0.506913D+01
      6   0.454209D+00  0.122624D+00 -0.107924D+01  0.128611D+01  0.618577D+01
               151           152           153           154           155 
      1  -0.667854D+01 -0.170526D+01 -0.149364D+02  0.524841D+02 -0.157052D+02
      2   0.676675D+01 -0.838522D+00 -0.187824D+02 -0.245570D+02  0.647318D+01
      3  -0.882150D-01  0.254378D+01  0.337189D+02 -0.279271D+02  0.923206D+01
      4  -0.703502D+00 -0.524549D+01 -0.363509D+01 -0.169736D+02  0.150544D+02
      5   0.122649D+02 -0.281451D+01 -0.388613D+02 -0.253088D+00 -0.357579D+00
      6   0.177509D+00  0.612685D+01  0.277815D+00  0.270012D+01 -0.270953D+01
               156           157           158           159           160 
      1   0.619940D+01 -0.246818D+02  0.123612D+02 -0.232777D+01  0.157908D+02
      2  -0.214522D+01  0.105630D+02 -0.176110D+01 -0.307607D+00 -0.707833D+01
      3  -0.405418D+01  0.141187D+02 -0.106001D+02  0.263538D+01 -0.871251D+01
      4  -0.220946D+01  0.190495D+02 -0.123007D+02  0.256825D+01 -0.469353D+01
      5   0.742933D+01  0.919600D+00  0.899221D+00 -0.643705D+01  0.737007D+01
      6  -0.163889D-01 -0.258974D+01  0.107458D+01  0.133366D+01 -0.620848D+00
               161           162           163           164           165 
      1  -0.361322D+01  0.438407D+01  0.125156D+02  0.640591D+01  0.114679D+01
      2   0.811637D+00 -0.403466D+01 -0.305642D+01 -0.507762D+00 -0.491638D+00
      3   0.280158D+01 -0.349403D+00 -0.945921D+01 -0.589815D+01 -0.655152D+00
      4   0.547108D+01 -0.434298D+01  0.976960D+01  0.154335D+02 -0.419231D+00
      5  -0.406302D+01  0.291529D+01 -0.953271D+00 -0.160937D+01  0.228866D+01
      6   0.796279D+00 -0.380141D+00 -0.144862D+01 -0.299161D+01  0.768118D+00
               166           167           168           169           170 
      1   0.114771D+02  0.459002D+01 -0.431683D+00  0.468220D+01  0.399101D+00
      2  -0.459382D+00  0.127498D+02  0.136432D+01 -0.127349D+01  0.121054D+01
      3  -0.110177D+02 -0.173398D+02 -0.932638D+00 -0.340871D+01 -0.160964D+01
      4   0.229244D+02  0.379914D+02 -0.890853D+00  0.154752D+01  0.309722D+01
      5  -0.409842D+01 -0.191035D+01  0.718422D+01  0.300875D+01  0.413876D+01
      6  -0.441084D+01 -0.940840D+01  0.455419D+01  0.161914D+01  0.369986D+01
               171 
      1  -0.117899D+01
      2  -0.173465D-01
      3   0.119634D+01
      4   0.362309D+01
      5  -0.187767D+01
      6   0.286904D-02
 Leave Link  716 at Thu Jul  8 18:44:33 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.943060D+02 -0.447137D+01 -0.194925D+01
      2  -0.447137D+01  0.820191D+02  0.874947D+00
      3  -0.194925D+01  0.874947D+00  0.743859D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.108740D+01 -0.177759D+01 -0.658622D+00
      2   0.412084D+01  0.109244D+01  0.360358D+02
      3  -0.146757D+02 -0.182688D+02 -0.274011D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.346596D+02  0.141203D+02  0.482596D+01
      2  -0.209875D+02 -0.722631D+01 -0.360327D+00
      3  -0.136721D+02 -0.689403D+01 -0.446563D+01
      4   0.219678D+01  0.502079D+02  0.601353D+00
      5   0.715065D+01  0.731509D+00  0.835051D+02
      6  -0.197907D+00  0.419025D+01 -0.368059D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.770753D+01 -0.248953D+01 -0.443486D+00 -0.227492D+01 -0.169941D+01
      2  -0.248953D+01  0.412610D+00  0.123154D+00 -0.169941D+01  0.534988D+00
      3  -0.443486D+00  0.123154D+00 -0.163948D+00  0.288441D+00  0.920556D-01
                 6             7             8             9            10 
      1   0.288441D+00 -0.158715D+01 -0.556363D-01  0.242086D+00 -0.363844D+01
      2   0.920556D-01 -0.556363D-01 -0.637390D+00 -0.282822D+00  0.261154D+01
      3  -0.847587D+00  0.242086D+00 -0.282822D+00 -0.832607D+00 -0.136937D+01
                11            12            13            14            15 
      1   0.261154D+01 -0.136937D+01  0.374330D+01  0.469649D+00 -0.558527D-01
      2  -0.145324D+00  0.978816D-01  0.469649D+00 -0.122929D+01 -0.237637D+00
      3   0.978816D-01 -0.100522D+01 -0.558527D-01 -0.237637D+00  0.252568D+01
                16            17            18            19            20 
      1  -0.102960D+01  0.763648D+00 -0.719180D+00  0.229981D+01 -0.211825D+01
      2   0.763648D+00 -0.119188D+01  0.902260D+00 -0.211825D+01  0.347318D+01
      3  -0.719180D+00  0.902260D+00  0.800854D+01  0.389408D+01  0.138980D+00
                21            22            23            24            25 
      1   0.389408D+01 -0.237033D+01  0.289979D+01 -0.223066D+00  0.433366D+01
      2   0.138980D+00  0.289979D+01  0.351262D+01  0.166468D+01 -0.539231D-01
      3  -0.750257D+00 -0.223066D+00  0.166468D+01 -0.225243D+01 -0.738460D+00
                26            27            28            29            30 
      1  -0.539231D-01 -0.738460D+00  0.240259D+01  0.601972D+00 -0.124877D+01
      2   0.122612D+01 -0.207382D+01  0.601972D+00 -0.310020D+01 -0.207485D+00
      3  -0.207382D+01 -0.756705D+01 -0.124877D+01 -0.207485D+00 -0.269469D+01
                31            32            33            34            35 
      1  -0.290468D+00 -0.291198D+01  0.524945D+00 -0.107202D+01  0.246998D+00
      2  -0.291198D+01 -0.109211D+01 -0.146963D+01  0.246998D+00 -0.135011D+01
      3   0.524945D+00 -0.146963D+01  0.249733D+01 -0.179486D+01  0.422142D+01
                36            37            38            39            40 
      1  -0.179486D+01 -0.411949D+01 -0.235894D+01  0.349865D+00 -0.164481D+01
      2   0.422142D+01 -0.235894D+01 -0.798458D+00  0.346719D+00 -0.247550D+00
      3   0.420302D+01  0.349865D+00  0.346719D+00  0.841581D+00 -0.261336D+00
                41            42            43            44            45 
      1  -0.247550D+00 -0.261336D+00  0.616003D+00  0.245281D+00 -0.604299D+00
      2  -0.562274D+01  0.506828D+00  0.245281D+00  0.660179D+00 -0.152271D+01
      3   0.506828D+00 -0.769169D+00 -0.604299D+00 -0.152271D+01  0.648062D+00
                46            47            48            49            50 
      1  -0.174825D+02  0.248284D+01  0.925106D+00  0.203587D+01 -0.287827D+01
      2   0.248284D+01 -0.339315D+01 -0.163920D+00 -0.287827D+01  0.236513D+01
      3   0.925106D+00 -0.163920D+00 -0.178404D+01 -0.144158D+00  0.316287D+00
                51            52            53            54            55 
      1  -0.144158D+00  0.213860D+01 -0.179693D+00 -0.369774D+01  0.403615D+01
      2   0.316287D+00 -0.179693D+00  0.677376D+00  0.755376D+00 -0.478365D+00
      3   0.857860D+00 -0.369774D+01  0.755376D+00  0.123627D+01  0.523512D-01
                56            57            58            59            60 
      1  -0.478365D+00  0.523512D-01 -0.483348D+00  0.552532D-01  0.357414D+00
      2   0.405736D+01  0.267111D+00  0.552532D-01  0.609447D+01 -0.449012D+00
      3   0.267111D+00  0.115284D+01  0.357414D+00 -0.449012D+00 -0.759540D+00
                61            62            63            64            65 
      1  -0.845719D+00  0.197838D-01  0.377704D+00  0.858973D+00 -0.355483D+00
      2   0.197838D-01 -0.411745D-01  0.101447D+01 -0.355483D+00 -0.144546D+00
      3   0.377704D+00  0.101447D+01 -0.443571D+00 -0.108927D+01  0.417577D-01
                66            67            68            69            70 
      1  -0.108927D+01 -0.522931D+00 -0.211880D+00  0.134892D-01 -0.180595D+01
      2   0.417577D-01 -0.211880D+00  0.474706D+00 -0.127711D+01  0.576959D-01
      3   0.422929D+00  0.134892D-01 -0.127711D+01 -0.232562D+00  0.836290D-01
                71            72            73            74            75 
      1   0.576959D-01  0.836290D-01  0.179351D+01 -0.180137D+01  0.120610D+01
      2  -0.167098D+01  0.367639D+00 -0.180137D+01  0.250701D+01 -0.803090D+00
      3   0.367639D+00 -0.987176D+01  0.120610D+01 -0.803090D+00  0.111761D+01
                76            77            78            79            80 
      1  -0.150129D+01  0.203835D+01 -0.595729D+00  0.163416D+01 -0.109723D+01
      2   0.203835D+01 -0.557623D+01  0.195802D+01 -0.109723D+01  0.353761D+01
      3  -0.595729D+00  0.195802D+01 -0.180560D+01  0.131602D+01 -0.260244D+01
                81            82            83            84            85 
      1   0.131602D+01  0.710949D+00 -0.870009D+00 -0.133818D+01 -0.555452D+00
      2  -0.260244D+01 -0.870009D+00  0.870153D+00  0.581374D+00  0.103053D+01
      3   0.196558D+01 -0.133818D+01  0.581374D+00  0.111054D+01  0.274119D+00
                86            87            88            89            90 
      1   0.103053D+01  0.274119D+00 -0.220130D+01  0.548775D+00  0.152381D+01
      2  -0.259388D+01 -0.178047D+01  0.548775D+00 -0.310590D+01 -0.380924D+01
      3  -0.178047D+01 -0.191537D+01  0.152381D+01 -0.380924D+01 -0.663349D+01
                91            92            93            94            95 
      1  -0.495010D+01  0.238149D+01  0.464355D+00  0.171173D+01 -0.144266D+01
      2   0.238149D+01 -0.474199D+01 -0.319259D+00 -0.144266D+01  0.190204D+01
      3   0.464355D+00 -0.319259D+00 -0.122184D+01 -0.207246D+00  0.147316D+00
                96            97            98            99           100 
      1  -0.207246D+00  0.964300D+00 -0.358895D+00 -0.622934D+00  0.237944D-01
      2   0.147316D+00 -0.358895D+00  0.956334D+00  0.771668D+00  0.271161D+01
      3   0.561976D+00 -0.622934D+00  0.771668D+00  0.455870D+00 -0.478791D+01
               101           102           103           104           105 
      1   0.271161D+01 -0.478791D+01  0.303957D+01 -0.274785D+01  0.441337D+00
      2  -0.210015D+01  0.420926D+00 -0.274785D+01 -0.454023D+01 -0.279021D+01
      3   0.420926D+00  0.164679D+01  0.441337D+00 -0.279021D+01  0.219241D+01
               106           107           108           109           110 
      1  -0.398246D+01  0.213282D+00  0.133659D+01 -0.150054D+01  0.268264D+01
      2   0.213282D+00 -0.111103D+01  0.186460D+01  0.268264D+01 -0.306679D+01
      3   0.133659D+01  0.186460D+01  0.439180D+01 -0.339422D+01  0.240294D+00
               111           112           113           114           115 
      1  -0.339422D+01  0.311453D+01 -0.393259D+01  0.211376D+00 -0.379521D+01
      2   0.240294D+00 -0.393259D+01 -0.449535D+01 -0.915076D+00  0.259935D+00
      3   0.176326D+01  0.211376D+00 -0.915076D+00  0.192674D+01  0.584818D+00
               116           117           118           119           120 
      1   0.259935D+00  0.584818D+00 -0.388294D+01 -0.845534D+00  0.251852D+01
      2  -0.115356D+01  0.160186D+01 -0.845534D+00 -0.822954D+00  0.263828D+00
      3   0.160186D+01  0.708818D+01  0.251852D+01  0.263828D+00 -0.384736D+01
               121           122           123           124           125 
      1  -0.990505D+00 -0.486673D+00  0.409332D+00  0.215964D+01  0.243217D+00
      2  -0.486673D+00 -0.938366D-01  0.103718D+01  0.243217D+00  0.807775D+00
      3   0.409332D+00  0.103718D+01 -0.125177D+01 -0.202328D+01 -0.607557D+00
               126           127           128           129           130 
      1  -0.202328D+01  0.823406D+00  0.897677D+00  0.887114D+00  0.151590D+01
      2  -0.607557D+00  0.897677D+00  0.122860D+01  0.371039D+00  0.176914D+01
      3   0.362855D+01  0.887114D+00  0.371039D+00  0.258772D+00  0.857524D+00
               131           132           133           134           135 
      1   0.176914D+01  0.857524D+00  0.574172D+00  0.283153D+00  0.260290D+00
      2   0.666996D+01  0.244698D+01  0.283153D+00  0.126982D+01  0.107119D+01
      3   0.244698D+01  0.253478D+01  0.260290D+00  0.107119D+01  0.804363D+00
               136           137           138           139           140 
      1   0.493276D+01 -0.180175D+01  0.300486D+01 -0.260252D+01  0.184533D+01
      2  -0.180175D+01  0.175285D+01 -0.924301D+00  0.184533D+01 -0.148790D+01
      3   0.300486D+01 -0.924301D+00  0.262050D+01 -0.142304D+01  0.151134D+01
               141           142           143           144           145 
      1  -0.142304D+01  0.191028D+01 -0.671795D+00  0.165357D+01 -0.122693D+00
      2   0.151134D+01 -0.671795D+00  0.818351D+00 -0.105683D+01 -0.374665D+00
      3  -0.222825D+01  0.165357D+01 -0.105683D+01  0.210962D+01 -0.578341D+00
               146           147           148           149           150 
      1  -0.374665D+00 -0.578341D+00 -0.725532D+00  0.532088D+00  0.177447D+00
      2   0.567734D-01 -0.456422D-01  0.532088D+00  0.420894D-03 -0.102479D+01
      3  -0.456422D-01 -0.659198D+00  0.177447D+00 -0.102479D+01 -0.121792D+01
               151           152           153           154           155 
      1  -0.167655D+01 -0.638462D-01  0.139690D+01  0.784633D+01 -0.236492D+01
      2  -0.638462D-01 -0.112122D+01 -0.629742D+00 -0.236492D+01  0.200176D+01
      3   0.139690D+01 -0.629742D+00 -0.902233D+01  0.787330D+00 -0.347511D+00
               156           157           158           159           160 
      1   0.787330D+00 -0.426028D+01  0.258188D+01 -0.209853D+00  0.273436D+01
      2  -0.347511D+00  0.258188D+01 -0.169288D+01  0.408726D+00 -0.584474D+00
      3   0.980630D+00 -0.209853D+00  0.408726D+00 -0.107526D+01  0.101425D+01
               161           162           163           164           165 
      1  -0.584474D+00  0.101425D+01  0.226089D+01  0.148903D+01  0.159880D+00
      2   0.851687D+00 -0.702503D+00  0.148903D+01  0.195327D+01 -0.818567D-01
      3  -0.702503D+00  0.282527D+00  0.159880D+00 -0.818567D-01  0.211112D+00
               166           167           168           169           170 
      1   0.306149D+01  0.333686D+01 -0.435147D+00  0.930785D+00  0.183724D+00
      2   0.333686D+01  0.687012D+01 -0.145477D+00  0.183724D+00  0.577985D+00
      3  -0.435147D+00 -0.145477D+00  0.125868D+01  0.411102D+00  0.717168D+00
               171 
      1   0.411102D+00
      2   0.717168D+00
      3  -0.451583D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128711D+01  0.442199D+01 -0.110150D+01  0.290171D+01  0.186531D+01
      2  -0.193493D+01 -0.320996D+01 -0.103766D+02 -0.275122D+01 -0.764893D+00
      3  -0.191364D+01  0.969073D+01  0.115800D+01 -0.117296D+01 -0.279124D+01
                 6             7             8             9            10 
      1   0.473400D+01  0.853899D+00  0.131437D+02 -0.176242D+01  0.494242D+00
      2   0.327488D+01 -0.139982D+02 -0.363746D+01  0.355801D+01 -0.381811D+01
      3  -0.155570D+01  0.311234D+01 -0.628118D+01  0.382936D+00  0.135683D+01
                11            12            13            14            15 
      1  -0.111613D+01 -0.271078D+01 -0.197896D+01  0.455159D+00 -0.641379D+00
      2   0.228507D+01  0.967070D+00  0.453242D+01  0.400262D+00  0.371185D+01
      3  -0.260014D+01 -0.726229D+00  0.733530D+01 -0.643371D+00  0.116772D+01
                16            17            18            19            20 
      1  -0.122757D+01  0.186764D+01 -0.156220D+01 -0.815640D+00 -0.307829D+00
      2  -0.258842D+01  0.493904D+00 -0.475304D+01  0.928229D+01 -0.122185D+00
      3  -0.827906D+00  0.285126D+01 -0.181732D+01  0.319390D+01 -0.907678D+01
                21            22            23            24            25 
      1   0.813993D+00 -0.437327D+00  0.664285D+00 -0.611945D+01  0.296639D+00
      2   0.392121D+01 -0.850918D+00  0.209121D+01 -0.296897D+01 -0.513745D+01
      3   0.533472D-01 -0.658118D+00 -0.664179D+01 -0.294537D+01  0.941846D+00
                26            27            28            29            30 
      1   0.249976D+01 -0.128107D+01  0.117151D+00  0.221965D+01 -0.490968D+01
      2  -0.263519D+01 -0.542719D+01 -0.192687D+01  0.561085D+00 -0.286301D+01
      3  -0.263202D+01  0.223405D+01 -0.111557D+02  0.193552D+01  0.937570D+00
                31            32            33            34            35 
      1   0.341971D+01 -0.378318D+01  0.602660D+01 -0.311140D+01  0.130054D+02
      2  -0.524134D+00 -0.257798D+01  0.193355D+01 -0.680994D+01  0.550416D+01
      3   0.447312D+01  0.637675D+01  0.167979D+01 -0.264780D-01  0.158985D+01
                36            37            38            39            40 
      1   0.695620D+01 -0.517361D+00 -0.193272D+01 -0.112456D+00  0.129013D+01
      2   0.308655D+01 -0.264868D+00  0.147652D+01  0.661329D+01  0.927420D+00
      3   0.118501D+01  0.104354D+02 -0.305399D+01 -0.117289D+01  0.119888D+02
                41            42            43            44            45 
      1   0.188507D+01 -0.688873D+01 -0.479236D+01 -0.189426D+01  0.181820D+01
      2  -0.509036D+00 -0.756571D+00 -0.323038D+01  0.403960D+01 -0.146362D+01
      3  -0.540355D+01  0.418672D-02 -0.344307D+01  0.571470D+00 -0.314034D+00
                46            47            48            49            50 
      1   0.169586D+01 -0.115606D+01  0.151702D+01 -0.105848D+01 -0.411553D+00
      2  -0.321119D+01  0.240676D+00  0.146738D+02  0.129244D+01 -0.591893D+00
      3   0.911571D+01 -0.209144D+02 -0.651746D+00 -0.183201D+01  0.920894D+01
                51            52            53            54            55 
      1  -0.357918D+01 -0.183559D+01  0.395339D+00  0.617709D+00  0.143383D+01
      2  -0.238899D+01  0.512975D+01  0.991717D+00 -0.445398D+01 -0.412920D+00
      3   0.701355D+00 -0.641570D+00  0.475442D+01  0.275426D+01  0.137109D+02
                56            57            58            59            60 
      1  -0.147153D+01 -0.197859D+01  0.112045D+00 -0.313118D+01 -0.661809D+01
      2   0.102351D+01  0.929498D+00 -0.757010D+00 -0.685217D+00 -0.116328D+01
      3  -0.507173D-01 -0.110959D+01  0.580985D+01  0.396260D+01  0.156698D+00
                61            62            63            64            65 
      1  -0.713471D+00  0.214850D+01 -0.188492D+01  0.172023D+00 -0.295930D-01
      2  -0.376588D+01  0.563028D+00 -0.118716D+00  0.220672D+01 -0.295030D+00
      3  -0.152969D+01  0.749281D-01  0.183694D+01  0.632816D+00 -0.109078D+01
                66            67            68            69            70 
      1   0.358649D+00 -0.406975D+00  0.466976D+00  0.520167D+00 -0.590551D+00
      2  -0.694286D-01 -0.109406D+01  0.446260D+00 -0.123829D+00 -0.486216D+01
      3  -0.496767D+00  0.240523D+00  0.107244D+00 -0.406426D+00 -0.857048D+00
                71            72            73            74            75 
      1   0.405298D+01  0.464009D+01  0.288995D+01 -0.185021D+01  0.310874D+01
      2   0.436754D+00  0.357535D+01  0.908953D+00 -0.833081D+00  0.214361D+01
      3  -0.820061D+00  0.751723D+00 -0.290127D+01 -0.764202D-01 -0.189462D+01
                76            77            78            79            80 
      1  -0.208726D+01  0.458413D+01 -0.576182D+01  0.319818D+01 -0.391557D+01
      2   0.260637D+00  0.187795D+01 -0.213918D+01 -0.233923D-01 -0.239741D+01
      3   0.458864D+01 -0.918747D+00 -0.452413D-01 -0.394598D+01 -0.109344D+01
                81            82            83            84            85 
      1   0.572684D+01 -0.250842D+01  0.105723D+00  0.220438D+01 -0.188783D+00
      2   0.219958D+01  0.639082D-01 -0.141595D+00  0.789064D+00 -0.601040D+00
      3  -0.108807D+01 -0.146954D+01 -0.457772D+00  0.236411D+01  0.160443D+01
                86            87            88            89            90 
      1  -0.165928D+01 -0.452872D+01  0.350583D+01 -0.296731D+01 -0.120761D+02
      2  -0.807889D+00 -0.154109D+01 -0.225889D+01 -0.269703D+01 -0.464384D+01
      3  -0.125673D+01  0.348314D+00  0.564073D+01  0.105460D+01 -0.159249D+01
                91            92            93            94            95 
      1  -0.239526D+01  0.157969D+01  0.312245D+01  0.359452D+00 -0.101745D+01
      2  -0.190929D+00  0.617119D-01  0.216649D+01  0.963579D-01  0.173049D+00
      3  -0.142284D+02 -0.185674D+01  0.149813D+01  0.157817D+01 -0.301289D+01
                96            97            98            99           100 
      1  -0.144735D+01  0.971244D+00 -0.737706D+00 -0.131359D+01  0.627142D+01
      2  -0.821035D+00 -0.398134D+00 -0.959102D+00 -0.380850D+00 -0.659216D+01
      3  -0.115313D+00  0.235640D+01 -0.300478D+00 -0.484494D+00 -0.346457D+01
               101           102           103           104           105 
      1  -0.441813D+01 -0.295352D+00 -0.556433D+01 -0.931564D+01 -0.924632D+01
      2  -0.454764D+01  0.152748D+02 -0.474737D+01  0.123843D+01  0.206898D+01
      3   0.197817D+01 -0.234085D+01  0.703117D+01  0.564278D+01  0.362471D+01
               106           107           108           109           110 
      1   0.574561D+00 -0.242681D+01  0.343188D+01 -0.129333D+01  0.317047D+01
      2   0.741392D+01  0.189810D+01  0.201538D+01 -0.116413D+02  0.276695D+01
      3  -0.158399D+01  0.224144D+01 -0.216808D+01 -0.773242D+01  0.745768D+01
               111           112           113           114           115 
      1  -0.675875D+00  0.430917D+01  0.481901D+01 -0.159702D+01  0.299704D+00
      2   0.183890D+01  0.331697D+01 -0.589948D+01  0.496864D+01 -0.498750D+01
      3  -0.142689D+01  0.166336D+02  0.120281D+02  0.155653D+01 -0.204585D+01
               116           117           118           119           120 
      1   0.199486D+01 -0.371221D+01 -0.226714D+01 -0.288200D+01  0.944739D+00
      2   0.395256D+01  0.196953D+02  0.132654D+02  0.247986D+01 -0.668177D+01
      3   0.309422D+01 -0.430076D+01 -0.164183D+00 -0.940910D+00  0.329932D+00
               121           122           123           124           125 
      1  -0.124709D+01 -0.655234D+00  0.911816D+00  0.121635D+01  0.316864D+01
      2   0.302492D+01  0.209534D+01 -0.174990D+01 -0.852827D+01 -0.127454D+01
      3   0.117923D+01 -0.171645D+00 -0.969705D+00 -0.284217D-01  0.604996D-01
               126           127           128           129           130 
      1  -0.176301D+01  0.123637D+01  0.217729D+01  0.178461D+00  0.251637D+01
      2   0.680044D+01  0.293152D+00 -0.773890D+00  0.676225D-01 -0.224510D+01
      3   0.475489D-01 -0.620396D+00 -0.204392D+01 -0.365218D+00  0.844441D+00
               131           132           133           134           135 
      1   0.131183D+02  0.410046D+00  0.670422D+00  0.302549D+01  0.148525D+01
      2   0.638318D+00  0.276298D+01 -0.154605D+01  0.834371D+00  0.700154D+00
      3  -0.950161D+01 -0.284936D+01 -0.151773D-01 -0.172566D+01 -0.162742D+01
               136           137           138           139           140 
      1  -0.413919D+01  0.469932D+01 -0.118806D+01  0.334371D+01 -0.366857D+01
      2  -0.527314D+01  0.226343D+01  0.112559D+01  0.354848D+01 -0.120715D+01
      3   0.247408D+01 -0.465118D+01  0.169776D+01 -0.148641D+01  0.320789D+01
               141           142           143           144           145 
      1   0.129879D+01 -0.172555D+01  0.310578D+01 -0.199869D+01  0.522817D+00
      2  -0.140889D+01 -0.311420D+01 -0.355978D-01  0.543499D+00 -0.240996D+01
      3  -0.203955D+01  0.950259D+00 -0.189269D+01  0.180984D+01  0.906653D+00
               146           147           148           149           150 
      1   0.218519D+00  0.290971D-01 -0.247785D+00  0.636681D+00  0.236270D+00
      2  -0.414568D+00 -0.713128D+00 -0.843683D+00 -0.174839D+01 -0.292399D+01
      3  -0.909371D+00 -0.508378D-01 -0.363328D+00  0.180086D+00  0.219828D+01
               151           152           153           154           155 
      1  -0.562390D-01  0.432091D+01  0.278714D+01  0.189433D+01 -0.148733D+01
      2  -0.229730D+01 -0.200776D+01 -0.217080D+02  0.853141D+01 -0.333371D+01
      3   0.140452D+00  0.306559D+01  0.196532D+01  0.715337D+01 -0.830063D+01
               156           157           158           159           160 
      1   0.110254D+01 -0.168976D+01  0.987187D+00 -0.170252D+01  0.295163D+00
      2   0.580760D+01 -0.387097D+01  0.333527D+01 -0.452263D+01  0.327567D+01
      3   0.130326D+01 -0.562636D+01  0.596119D+01 -0.142079D+01  0.162807D+01
               161           162           163           164           165 
      1   0.213026D+00  0.935792D+00 -0.150455D+01 -0.194111D+01 -0.407776D+00
      2  -0.236464D+01  0.230415D+01  0.214925D+01  0.950915D+00  0.157821D+01
      3  -0.303630D+01  0.202009D+01 -0.309467D+01 -0.604700D+01  0.456181D+00
               166           167           168           169           170 
      1  -0.237022D+01 -0.627814D+01 -0.319991D+01 -0.641687D-01  0.822742D-02
      2   0.128585D+01  0.249583D+01  0.378749D+01  0.574545D+00  0.153088D+01
      3  -0.501588D+01 -0.185703D+02 -0.651599D-01  0.175081D+00 -0.157645D+01
               171 
      1  -0.607579D+00
      2  -0.554163D+00
      3  -0.159504D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.526320D+02 -0.506323D+00  0.100010D+01  0.134345D+02  0.109590D+02
      2   0.301595D+02  0.502876D+01 -0.439322D+01 -0.874148D+01 -0.128582D+02
      3   0.224725D+02 -0.452244D+01  0.339312D+01 -0.469301D+01  0.189928D+01
      4   0.103992D+02 -0.129962D+02 -0.564848D-01  0.142096D+01  0.782627D+01
      5   0.267420D+01  0.668093D+00 -0.152651D+02 -0.118450D+01  0.396025D+00
      6  -0.161971D+00 -0.887967D+00  0.432568D+01  0.998675D-01 -0.506345D+00
                 6             7             8             9            10 
      1  -0.266312D+01  0.101837D+02 -0.194153D+01 -0.639906D+01 -0.188622D+01
      2   0.730438D+00 -0.732045D+01 -0.266848D+00 -0.416477D+01  0.581422D+01
      3   0.193269D+01 -0.286324D+01  0.220838D+01  0.105638D+02 -0.392801D+01
      4   0.656445D+00 -0.960718D+00  0.354057D+01  0.118147D+01 -0.217185D+01
      5   0.949496D+01  0.501513D+01 -0.209950D+00  0.687106D+01 -0.259087D+01
      6  -0.507233D+01  0.794015D+00  0.239007D+01  0.112222D+01 -0.246341D-01
                11            12            13            14            15 
      1  -0.206349D+01 -0.891377D+00  0.877231D+01  0.384887D+00  0.222348D+01
      2   0.400874D+01  0.426067D-01 -0.456374D+01 -0.642621D+01  0.622179D+01
      3  -0.194524D+01  0.848770D+00 -0.420857D+01  0.604132D+01 -0.844527D+01
      4  -0.100508D+01  0.231375D+00 -0.479537D+01  0.783800D+00 -0.161518D+01
      5  -0.161811D+01 -0.128197D+00 -0.217171D+01 -0.301250D+00  0.469161D+01
      6  -0.184448D+01  0.253567D+01 -0.130391D+01  0.118738D+01 -0.286969D+01
                16            17            18            19            20 
      1  -0.845549D+01  0.726850D+00  0.149360D+02 -0.349211D+01 -0.286555D+01
      2   0.288678D+01 -0.362293D+01  0.166322D+02 -0.361363D+01 -0.250957D+01
      3   0.556871D+01  0.289608D+01 -0.315681D+02  0.710574D+01  0.537512D+01
      4  -0.110255D+01 -0.941080D+00 -0.372516D+01 -0.521376D+01  0.583327D+01
      5   0.520532D+00 -0.159554D+01 -0.143341D+01  0.166434D+02  0.168757D+01
      6  -0.324930D+01  0.139628D+01  0.773926D+01  0.329497D+00  0.318875D+01
                21            22            23            24            25 
      1   0.114109D+02 -0.990733D+01  0.116798D+02  0.160935D+01  0.165925D+02
      2  -0.507748D+01  0.590605D+01 -0.102508D+02 -0.231379D+00 -0.674786D+01
      3  -0.633341D+01  0.400128D+01 -0.142905D+01 -0.137797D+01 -0.984459D+01
      4   0.257966D+00  0.107133D+02  0.787636D+01  0.232926D+01  0.438504D+00
      5  -0.268717D+01  0.927380D+00  0.217165D+01 -0.582956D+01 -0.297112D+01
      6  -0.304301D+01  0.192563D+01 -0.331218D+01  0.457440D+01 -0.331844D+01
                26            27            28            29            30 
      1   0.490305D+00 -0.625462D+01 -0.917049D+00 -0.871923D+01 -0.330285D+01
      2   0.816231D+00  0.555956D+01  0.937103D+00  0.138408D+02 -0.112839D+01
      3  -0.130654D+01  0.695056D+00 -0.200539D-01 -0.512154D+01  0.443124D+01
      4   0.175331D+01 -0.635005D+01 -0.309958D+01 -0.154495D+02  0.234090D+01
      5  -0.568315D+01 -0.149089D+02 -0.462793D+01  0.915055D+00 -0.760071D+01
      6   0.379928D+01 -0.160816D+01  0.696420D+00 -0.113651D+01  0.107869D+02
                31            32            33            34            35 
      1  -0.549060D+01 -0.255346D+01  0.478513D+00 -0.345240D+01  0.136496D+01
      2   0.847092D+01  0.247105D+01  0.707332D+01 -0.215836D+01  0.794302D+01
      3  -0.298032D+01  0.824099D-01 -0.755184D+01  0.561076D+01 -0.930798D+01
      4  -0.771431D+01  0.519538D+01 -0.330911D+01  0.234492D+01 -0.274187D+01
      5   0.580627D+00 -0.195111D+01  0.378197D+01 -0.490114D+01  0.962637D+01
      6  -0.342569D+01  0.889106D+01 -0.134220D+02  0.104714D+02 -0.191416D+02
                36            37            38            39            40 
      1   0.128532D+02  0.662544D+01  0.411831D+01  0.110009D+01 -0.303672D+01
      2  -0.109792D+02  0.767155D+00 -0.161378D+01  0.976418D+00  0.398869D+01
      3  -0.187402D+01 -0.739260D+01 -0.250453D+01 -0.207650D+01 -0.951970D+00
      4   0.127478D+02  0.106068D+02  0.195774D+02 -0.897192D+00  0.107195D+02
      5   0.821263D+01  0.154123D+01  0.491046D+00  0.954740D+01  0.602039D+00
      6  -0.139611D+02  0.859454D+00 -0.137304D+01 -0.177658D+01  0.409127D+00
                41            42            43            44            45 
      1  -0.170912D+02  0.162694D+01 -0.193744D+00  0.517699D+00 -0.449601D+01
      2   0.274529D+02 -0.759557D+00  0.448530D+00  0.862260D-01  0.330981D+01
      3  -0.103618D+02 -0.867379D+00 -0.254786D+00 -0.603925D+00  0.118620D+01
      4   0.944401D+01 -0.101104D+01 -0.939318D+00 -0.170754D+01  0.575323D+01
      5   0.972513D+00 -0.274506D+01  0.332764D+01  0.419023D+01 -0.201950D+01
      6  -0.364616D+00  0.103995D+02  0.190115D+01  0.914685D+01 -0.219661D+01
                46            47            48            49            50 
      1   0.102005D+03 -0.882969D+01 -0.367845D+01 -0.116768D+02  0.769193D+01
      2  -0.583621D+02  0.443528D+01  0.331894D+01  0.687484D+01 -0.236506D-02
      3  -0.436429D+02  0.439440D+01  0.359506D+00  0.480192D+01 -0.768957D+01
      4  -0.779883D+01  0.230120D+02  0.520401D+00  0.208459D+02 -0.857712D+01
      5  -0.235594D+01  0.121085D+00  0.243820D+02  0.118123D+01 -0.116912D+01
      6   0.158279D+00  0.896772D+00 -0.256798D+01 -0.866905D+00 -0.370453D+00
                51            52            53            54            55 
      1   0.931503D+00 -0.907267D+01  0.139509D+01  0.132871D+02 -0.123129D+01
      2  -0.411212D+00  0.657618D+01  0.443328D-01 -0.116145D+02 -0.138344D+01
      3  -0.520291D+00  0.249649D+01 -0.143942D+01 -0.167263D+01  0.261473D+01
      4  -0.222137D+01  0.156005D+01 -0.341219D+01 -0.108240D+01  0.164374D+02
      5  -0.553538D+01  0.241989D+02 -0.347059D+01 -0.780560D+01  0.567564D+00
      6   0.511305D+01 -0.303826D+00  0.425637D+01  0.814216D-02 -0.185393D+01
                56            57            58            59            60 
      1  -0.413461D+01  0.802694D+00 -0.280678D+01 -0.245226D+02 -0.186898D+01
      2   0.895227D+01  0.111125D+01  0.228309D+01  0.385037D+02 -0.511425D+01
      3  -0.481765D+01 -0.191395D+01  0.523685D+00 -0.139812D+02  0.698323D+01
      4  -0.619907D+01 -0.183240D+01  0.398690D+01 -0.256837D+01  0.153432D+01
      5  -0.108483D+01  0.261628D+01  0.825318D+00  0.234290D+00 -0.246687D+01
      6   0.699196D+00  0.185438D+01  0.142570D+01 -0.277300D+01  0.102320D+02
                61            62            63            64            65 
      1   0.284271D+00 -0.585757D+00 -0.661880D+01 -0.500629D+00  0.107223D+01
      2   0.652538D+00  0.285452D+01  0.118054D+01 -0.426725D+01 -0.608170D+00
      3  -0.936809D+00 -0.226877D+01  0.543826D+01  0.476788D+01 -0.464057D+00
      4  -0.167451D+01  0.180537D+01  0.708469D+00  0.114474D+01  0.234996D+01
      5   0.253328D+01 -0.102838D+01 -0.133708D+00  0.560027D+00 -0.281811D+00
      6   0.103566D+01  0.849356D+01  0.850073D-01 -0.148894D+01  0.177234D+00
                66            67            68            69            70 
      1   0.550360D+00 -0.142145D+00 -0.395588D+01  0.692860D+00  0.154676D+01
      2  -0.594652D-01  0.488149D+00  0.572768D+00 -0.313689D+01  0.455513D+00
      3  -0.490895D+00 -0.346004D+00  0.338311D+01  0.244403D+01 -0.200228D+01
      4  -0.161505D+01  0.184577D+01  0.308977D-01  0.558190D+00 -0.166183D+01
      5   0.735832D+01  0.408561D+00  0.340025D+00 -0.653463D-01  0.592542D+01
      6  -0.152600D+00  0.153929D+00 -0.166386D+01  0.690874D+01  0.754929D+00
                71            72            73            74            75 
      1   0.333120D+01 -0.219192D+02  0.816472D+00  0.307767D+01 -0.461348D+00
      2  -0.299049D+01 -0.215899D+02  0.457405D+01 -0.962762D+01  0.214105D+01
      3  -0.340707D+00  0.435090D+02 -0.539052D+01  0.654994D+01 -0.167970D+01
      4   0.168137D+01  0.185556D+01 -0.969239D+01  0.138982D+02 -0.595539D+01
      5   0.278565D+00  0.452060D+01  0.357468D+01 -0.335845D+01  0.410049D+01
      6   0.625545D+01 -0.119870D+02 -0.599734D+01  0.478784D+01 -0.507034D+01
                76            77            78            79            80 
      1   0.415448D+01 -0.151164D+02  0.513867D+01 -0.525076D+00  0.895273D+01
      2  -0.864246D+01  0.284078D+02 -0.943327D+01  0.260570D+01 -0.152504D+02
      3   0.448798D+01 -0.132914D+02  0.429460D+01 -0.208062D+01  0.629769D+01
      4   0.100401D+02 -0.145711D+02  0.515654D+01 -0.765818D+01  0.891987D+01
      5  -0.242923D+01  0.377669D+01 -0.354417D+01  0.466689D+01 -0.536396D+01
      6   0.360462D+01 -0.126239D+02  0.105370D+02 -0.630899D+01  0.150192D+02
                81            82            83            84            85 
      1  -0.805437D+01 -0.853059D+00  0.125823D+01  0.114945D+00  0.257748D+01
      2   0.768577D+01  0.209658D+00 -0.272722D+01  0.235590D+00 -0.373197D+01
      3   0.368595D+00  0.643401D+00  0.146900D+01 -0.350535D+00  0.115448D+01
      4  -0.738056D+01 -0.362826D+01  0.707506D+01  0.535344D+01  0.488831D+01
      5   0.437284D+01 -0.327689D+01  0.319669D+01  0.683467D+01  0.161816D+01
      6  -0.106038D+02  0.580600D+01 -0.252645D+01 -0.453444D+01 -0.204782D+01
                86            87            88            89            90 
      1  -0.976595D+01 -0.698673D+01  0.176030D+01 -0.120192D+02 -0.176074D+02
      2   0.114008D+02  0.627495D+01  0.102971D+01  0.895434D+01  0.369677D+01
      3  -0.163483D+01  0.711773D+00 -0.279001D+01  0.306482D+01  0.139106D+02
      4  -0.577178D+01 -0.250695D+01  0.643239D+01 -0.583225D+01 -0.794777D+01
      5  -0.287568D+01 -0.297493D+01  0.760836D+01 -0.644487D+01 -0.106554D+02
      6   0.106345D+02  0.129581D+02 -0.695149D+01  0.199872D+02  0.276508D+02
                91            92            93            94            95 
      1   0.687740D+01  0.358485D+01 -0.912645D+00 -0.913638D+00 -0.114679D+01
      2   0.347266D+01 -0.126932D+02 -0.100735D+01 -0.366281D+01  0.711843D+01
      3  -0.103501D+02  0.910838D+01  0.192000D+01  0.457645D+01 -0.597164D+01
      4  -0.229560D+02  0.193018D+02  0.265008D+01  0.878741D+01 -0.806147D+01
      5  -0.626174D+00  0.573073D+00  0.243182D+01  0.175613D+00 -0.453964D+00
      6   0.216918D+01 -0.481486D+00 -0.437321D+01 -0.680200D+00  0.447881D+00
                96            97            98            99           100 
      1   0.910305D-01 -0.197620D+00 -0.124372D+01 -0.938962D+00  0.507055D+01
      2   0.339512D+00 -0.898592D+00  0.220820D+01  0.491378D+00  0.872630D+01
      3  -0.430542D+00  0.109621D+01 -0.964473D+00  0.447584D+00 -0.137969D+02
      4  -0.872257D+00  0.335582D+01 -0.263535D+01 -0.350793D+01  0.872575D+01
      5  -0.100846D+01  0.329588D+01 -0.242653D+01 -0.763178D+00 -0.118159D+02
      6   0.229835D+01 -0.297646D+01  0.409682D+01  0.188884D+01  0.954608D+01
               101           102           103           104           105 
      1   0.895912D+01 -0.162026D+02  0.118655D+02 -0.155160D+01  0.154379D+01
      2  -0.638147D+01  0.367569D+01 -0.982156D+01 -0.143930D+00 -0.779900D+01
      3  -0.257765D+01  0.125269D+02 -0.204389D+01  0.169553D+01  0.625521D+01
      4  -0.578453D+01  0.326884D+01 -0.898056D+01 -0.120112D+02 -0.846131D+01
      5   0.980392D+01 -0.114702D+02  0.104499D+02 -0.133111D+02  0.669105D+01
      6  -0.774389D+01  0.208350D+01 -0.102032D+02 -0.131912D+02 -0.745506D+01
               106           107           108           109           110 
      1  -0.137549D+02  0.236628D-01 -0.343226D+01 -0.119592D+02  0.170620D+02
      2   0.228967D+01 -0.672954D+01 -0.702800D+01  0.673797D+00 -0.976803D+01
      3   0.114652D+02  0.670588D+01  0.104603D+02  0.112854D+02 -0.729402D+01
      4   0.219908D+01 -0.462926D+01  0.594567D+01  0.173875D+02 -0.168059D+02
      5  -0.113952D+02  0.552559D+01  0.139437D+02 -0.184435D+02 -0.950787D+00
      6   0.234503D+01 -0.604767D+01  0.747653D+01 -0.418490D+01  0.317629D+01
               111           112           113           114           115 
      1  -0.163703D+02  0.223424D+02 -0.162397D+02  0.430967D+01 -0.211357D+02
      2   0.963010D+01 -0.155107D+02  0.558813D+00  0.285805D+00  0.913517D+01
      3   0.674024D+01 -0.683164D+01  0.156809D+02 -0.459547D+01  0.120005D+02
      4   0.113939D+01 -0.243774D+02 -0.236326D+02 -0.374004D+01  0.260869D+01
      5   0.887799D+01 -0.654890D+00 -0.216580D+01  0.726696D+01  0.656707D+01
      6   0.455308D+00  0.491950D+01  0.512201D+01  0.147534D+01  0.977944D+00
               116           117           118           119           120 
      1   0.519178D+01  0.151090D+02 -0.781516D+01 -0.237922D+01  0.137003D+02
      2  -0.108599D+01  0.682409D+01 -0.298460D+01  0.505447D+00  0.519336D+01
      3  -0.410579D+01 -0.219331D+02  0.107998D+02  0.187377D+01 -0.188937D+02
      4  -0.640438D+01  0.822007D+01 -0.146224D+01  0.948000D+00  0.310162D+00
      5   0.691684D+01  0.247382D+02 -0.104764D+02 -0.263439D+01  0.644245D+01
      6   0.160286D+01 -0.238893D+01 -0.296268D+01 -0.401099D+01  0.156937D+01
               121           122           123           124           125 
      1  -0.342632D+01 -0.330080D+01  0.328761D+01  0.950188D+01  0.195207D+01
      2   0.137279D+01  0.506157D+00  0.183909D+01  0.282618D+01  0.143861D+01
      3   0.205353D+01  0.279464D+01 -0.512670D+01 -0.123281D+02 -0.339068D+01
      4   0.220631D+01  0.112720D+01  0.887689D+00  0.558204D+00  0.534961D+00
      5  -0.294520D+01 -0.173741D+00 -0.681465D+00  0.853888D+01  0.427146D+00
      6  -0.237616D+01 -0.110262D+01  0.606201D+01  0.139537D+01  0.498905D+01
               126           127           128           129           130 
      1  -0.142387D+02  0.145170D+01  0.138476D+01  0.198560D+01  0.199491D+01
      2  -0.781841D+01 -0.911660D+00  0.582137D+00 -0.994084D+00  0.245705D+00
      3   0.220571D+02 -0.540045D+00 -0.196689D+01 -0.991513D+00 -0.224062D+01
      4  -0.980503D+00  0.416012D+01  0.780428D+01  0.200791D+01  0.962079D+01
      5  -0.506349D+01  0.463464D+01  0.345558D+01  0.532000D+01  0.642764D+01
      6  -0.250096D+01  0.259670D+01  0.470345D+01  0.181586D+01  0.669932D+01
               131           132           133           134           135 
      1  -0.854265D+01 -0.642685D+01  0.745557D+00 -0.413931D+01 -0.421964D+01
      2   0.128243D+02 -0.197544D+00 -0.101291D+01  0.244881D+00  0.238429D+00
      3  -0.428169D+01  0.662440D+01  0.267357D+00  0.389443D+01  0.398121D+01
      4   0.195595D+02  0.737864D+01  0.792643D+00  0.358412D+01  0.302607D+01
      5   0.988790D+01  0.794162D+01  0.406603D+01  0.354002D+01  0.246941D+01
      6   0.243947D+02  0.129644D+02  0.175625D+01  0.989881D+01  0.589651D+01
               136           137           138           139           140 
      1   0.186815D+02 -0.538966D+01  0.567558D+01 -0.765164D+01  0.203234D+01
      2  -0.168583D+02  0.427578D+01 -0.111588D+02  0.623235D+01 -0.122250D+01
      3  -0.182325D+01  0.111388D+01  0.548324D+01  0.141929D+01 -0.809841D+00
      4  -0.817290D+01  0.811451D+01 -0.406442D+01  0.892547D+01 -0.719204D+01
      5   0.249492D+02 -0.873612D+01  0.197803D+02 -0.125554D+02  0.951773D+01
      6  -0.742354D+01  0.762222D+01 -0.478286D+01  0.779681D+01 -0.684667D+01
               141           142           143           144           145 
      1   0.158702D+00  0.367762D+01  0.319212D+00  0.134434D+00  0.500192D+00
      2   0.598832D+01 -0.788323D+01  0.358890D+01 -0.918000D+01 -0.221076D+01
      3  -0.614702D+01  0.420561D+01 -0.390811D+01  0.904556D+01  0.171057D+01
      4   0.582147D+01 -0.244368D+01  0.316155D+01 -0.410894D+01 -0.193311D+01
      5  -0.106950D+02  0.146657D+02 -0.601440D+01  0.135292D+02 -0.167422D+01
      6   0.760849D+01 -0.397046D+01  0.525357D+01 -0.564631D+01  0.684825D+00
               146           147           148           149           150 
      1  -0.229193D+01 -0.446623D+01 -0.390401D+01 -0.591506D+00 -0.197027D+01
      2   0.131540D+01  0.143015D+01  0.274668D+01 -0.542724D+00 -0.156024D+01
      3   0.976532D+00  0.303609D+01  0.115732D+01  0.113423D+01  0.353052D+01
      4   0.185701D+01 -0.155893D+00  0.419894D+01  0.380137D+00 -0.421196D+01
      5   0.594289D+00  0.412768D+01  0.192331D+01 -0.388392D+01 -0.506913D+01
      6   0.454209D+00  0.122624D+00 -0.107924D+01  0.128611D+01  0.618577D+01
               151           152           153           154           155 
      1  -0.667854D+01 -0.170526D+01 -0.149364D+02  0.524841D+02 -0.157052D+02
      2   0.676675D+01 -0.838522D+00 -0.187824D+02 -0.245570D+02  0.647318D+01
      3  -0.882150D-01  0.254378D+01  0.337189D+02 -0.279271D+02  0.923206D+01
      4  -0.703502D+00 -0.524549D+01 -0.363509D+01 -0.169736D+02  0.150544D+02
      5   0.122649D+02 -0.281451D+01 -0.388613D+02 -0.253088D+00 -0.357579D+00
      6   0.177509D+00  0.612685D+01  0.277815D+00  0.270012D+01 -0.270953D+01
               156           157           158           159           160 
      1   0.619940D+01 -0.246818D+02  0.123612D+02 -0.232777D+01  0.157908D+02
      2  -0.214522D+01  0.105630D+02 -0.176110D+01 -0.307607D+00 -0.707833D+01
      3  -0.405418D+01  0.141187D+02 -0.106001D+02  0.263538D+01 -0.871251D+01
      4  -0.220946D+01  0.190495D+02 -0.123007D+02  0.256825D+01 -0.469353D+01
      5   0.742933D+01  0.919600D+00  0.899221D+00 -0.643705D+01  0.737007D+01
      6  -0.163889D-01 -0.258974D+01  0.107458D+01  0.133366D+01 -0.620848D+00
               161           162           163           164           165 
      1  -0.361322D+01  0.438407D+01  0.125156D+02  0.640591D+01  0.114679D+01
      2   0.811637D+00 -0.403466D+01 -0.305642D+01 -0.507762D+00 -0.491638D+00
      3   0.280158D+01 -0.349403D+00 -0.945921D+01 -0.589815D+01 -0.655152D+00
      4   0.547108D+01 -0.434298D+01  0.976960D+01  0.154335D+02 -0.419231D+00
      5  -0.406302D+01  0.291529D+01 -0.953271D+00 -0.160937D+01  0.228866D+01
      6   0.796279D+00 -0.380141D+00 -0.144862D+01 -0.299161D+01  0.768118D+00
               166           167           168           169           170 
      1   0.114771D+02  0.459002D+01 -0.431683D+00  0.468220D+01  0.399101D+00
      2  -0.459382D+00  0.127498D+02  0.136432D+01 -0.127349D+01  0.121054D+01
      3  -0.110177D+02 -0.173398D+02 -0.932638D+00 -0.340871D+01 -0.160964D+01
      4   0.229244D+02  0.379914D+02 -0.890853D+00  0.154752D+01  0.309722D+01
      5  -0.409842D+01 -0.191035D+01  0.718422D+01  0.300875D+01  0.413876D+01
      6  -0.441084D+01 -0.940840D+01  0.455419D+01  0.161914D+01  0.369986D+01
               171 
      1  -0.117899D+01
      2  -0.173465D-01
      3   0.119634D+01
      4   0.362309D+01
      5  -0.187767D+01
      6   0.286904D-02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.135843D+01      0.345279D+01      0.115173D+02
   y         -0.317516D+00     -0.807046D+00     -0.269202D+01
   z         -0.285117D+00     -0.724696D+00     -0.241732D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.874530D+02      0.129592D+02      0.144191D+02
   yx        -0.441639D+01     -0.654442D+00     -0.728165D+00
   yy         0.759243D+02      0.112508D+02      0.125182D+02
   zx        -0.164996D+01     -0.244499D+00     -0.272041D+00
   zy         0.102113D+01      0.151316D+00      0.168362D+00
   zz         0.690442D+02      0.102313D+02      0.113839D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.835703D+02      0.123838D+02      0.137789D+02
   aniso      0.194087D+02      0.287607D+01      0.320005D+01
   xx         0.943060D+02      0.139747D+02      0.155490D+02
   yx        -0.447137D+01     -0.662589D+00     -0.737230D+00
   yy         0.820191D+02      0.121540D+02      0.135231D+02
   zx        -0.194925D+01     -0.288849D+00     -0.321387D+00
   zy         0.874947D+00      0.129654D+00      0.144259D+00
   zz         0.743859D+02      0.110229D+02      0.122646D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.94103562          0.86388277         -2.35731975
     6         -0.86959382         -1.33509449         -0.51013114
     6          0.45218469         -0.16747517          1.79877613
     6         -0.65426591          2.51819149          1.61728031
     8         -0.92373926          3.05279597         -1.06020152
     8         -0.96263266          0.71670742         -4.61712433
     8          0.28753686         -3.48191667         -1.53686852
     1         -2.84421426         -1.75092919          0.00360528
     1          0.57324430          3.96495452          2.40928737
     1         -2.51950098          2.64792166          2.49151109
     1          0.19548180         -3.32322763         -3.35795928
     6          3.31902160         -0.11001603          1.41659827
     6         -0.23119251         -1.46218598          4.27766233
     1          3.84121063          0.89851406         -0.30523719
     1          4.06280593         -2.02237814          1.27290475
     1          4.22411125          0.83408465          3.01124771
     1         -2.27539114         -1.53576762          4.54844518
     1          0.59446717         -0.46386802          5.88455571
     1          0.48775168         -3.39383512          4.29799428

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.142388D+01      0.361915D+01      0.120722D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.695417D+02      0.103050D+02      0.114659D+02
   yx        -0.149906D+01     -0.222138D+00     -0.247162D+00
   yy         0.741375D+02      0.109860D+02      0.122236D+02
   zx         0.178819D+01      0.264983D+00      0.294833D+00
   zy         0.195757D+01      0.290082D+00      0.322759D+00
   zz         0.887423D+02      0.131503D+02      0.146316D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.835703D+02      0.123838D+02      0.137789D+02
   aniso      0.194087D+02      0.287607D+01      0.320005D+01
   xx         0.748032D+02      0.110847D+02      0.123334D+02
   yx        -0.151490D+01     -0.224485D+00     -0.249773D+00
   yy         0.802861D+02      0.118972D+02      0.132374D+02
   zx         0.187889D+01      0.278422D+00      0.309787D+00
   zy         0.181601D+01      0.269106D+00      0.299420D+00
   zz         0.956217D+02      0.141697D+02      0.157659D+02

 ----------------------------------------------------------------------
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 ... FOR AFTERWARDS A MAN FINDS PLEASURE IN HIS PAINS,
 WHEN HE HAS SUFFERED LONG AND WANDERED FAR.

                                    -- HOMER
 Job cpu time:       0 days  3 hours 48 minutes 48.3 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 20.0 seconds.
 File lengths (MBytes):  RWF=    255 Int=      0 D2E=      0 Chk=     11 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:44:34 2021.
